Geometrical descriptors (block 12)
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W3D

3D-Wiener index

J3D

3D-Balaban index

H3D

3D-Harary index

AGDD

average geometric distance degree

DDI

D/D index

ADDD

average distance/distance degree

G1

gravitational index G1

G2

gravitational index G2 (bond-restricted)

RGyr

radius of gyration (mass weighted)

SPAN

span R

SPAM

average span R

MEcc

molecular eccentricity

SPH

spherosity

ASP

asphericity

FDI

folding degree index

PJI3

3D Petijean shape index

L/Bw

length-to-breadth ratio by WHIM

SEig

absolute eigenvalue sum on geometry matrix

HOMA

Harmonic Oscillator Model of Aromaticity index

RCI

Jug RC index

AROM

aromaticity (trial)

HOMT

HOMA total (trial)

DISPm

d COMMA2 value / weighted by atomic masses

QXXm

Qxx COMMA2 value / weighted by atomic masses

QYYm

Qyy COMMA2 value / weighted by atomic masses

QZZm

Qzz COMMA2 value / weighted by atomic masses

DISPv

d COMMA2 value / weighted by atomic van der Waals volumes

QXXv

Qxx COMMA2 value / weighted by atomic van der Waals volumes

QYYv

Qyy COMMA2 value / weighted by atomic van der Waals volumes

QZZv

Qzz COMMA2 value / weighted by atomic van der Waals volumes

DISPe

d COMMA2 value / weighted by atomic Sanderson electronegativities

QXXe

Qxx COMMA2 value / weighted by atomic Sanderson electronegativities

QYYe

Qyy COMMA2 value / weighted by atomic Sanderson electronegativities

QZZe

Qzz COMMA2 value / weighted by atomic Sanderson electronegativities

DISPp

d COMMA2 value / weighted by atomic polarizabilities

QXXp

Qxx COMMA2 value / weighted by atomic polarizabilities

QYYp

Qyy COMMA2 value / weighted by atomic polarizabilities

QZZp

Qzz COMMA2 value / weighted by atomic polarizabilities

G(N..N)

sum of geometrical distances between N..N

G(N..O)

sum of geometrical distances between N..O

G(N..S)

sum of geometrical distances between N..S

G(N..P)

sum of geometrical distances between N..P

G(N..F)

sum of geometrical distances between N..F

G(N..Cl)

sum of geometrical distances between N..Cl

G(N..Br)

sum of geometrical distances between N..Br

G(N..I)

sum of geometrical distances between N..I

G(O..O)

sum of geometrical distances between O..O

G(O..S)

sum of geometrical distances between O..S

G(O..P)

sum of geometrical distances between O..P

G(O..F)

sum of geometrical distances between O..F

G(O..Cl)

sum of geometrical distances between O..Cl

G(O..Br)

sum of geometrical distances between O..Br

G(O..I)

sum of geometrical distances between O..I

G(S..S)

sum of geometrical distances between S..S

G(S..P)

sum of geometrical distances between S..P

G(S..F)

sum of geometrical distances between S..F

G(S..Cl)

sum of geometrical distances between S..Cl

G(S..Br)

sum of geometrical distances between S..Br

G(S..I)

sum of geometrical distances between S..I

G(P..P)

sum of geometrical distances between P..P

G(P..F)

sum of geometrical distances between P..F

G(P..Cl)

sum of geometrical distances between P..Cl

G(P..Br)

sum of geometrical distances between P..Br

G(P..I)

sum of geometrical distances between P..I

G(F..F)

sum of geometrical distances between F..F

G(F..Cl)

sum of geometrical distances between F..Cl

G(F..Br)

sum of geometrical distances between F..Br

G(F..I)

sum of geometrical distances between F..I

G(Cl..Cl)

sum of geometrical distances between Cl..Cl

G(Cl..Br)

sum of geometrical distances between Cl..Br

G(Cl..I)

sum of geometrical distances between Cl..I

G(Br..Br)

sum of geometrical distances between Br..Br

G(Br..I)

sum of geometrical distances between Br..I

G(I..I)

sum of geometrical distances between I..I