Constitutional descriptors (30)-ChemDes-Molecular descriptors computing platform

1	Weight	Molecular weight(not including H)
2	nhyd	Count of hydrogen atoms
3	nhal	Count of halogen atoms
4	nhet	Count of hetero atoms
5	nhev	Count of heavy atoms
6	ncof	Count of F atoms
7	ncocl	Count of Cl atoms
8	ncobr	Count of Br atoms
9	ncoi	Count of I atoms
10	ncarb	Count of C atoms
11	nphos	Count of P atoms
12	nsulph	Count of S atoms
13	noxy	Count of O atoms
14	nnitro	Count of N atoms
15	nring	Number of rings
16	nrot	Number of rotatable bonds
17	ndonr	Number of H-bond donors
18	naccr	Number of H-bond acceptors
19	nsb	Number of single bonds
20	ndb	Number of double bonds
21	ntb	Number of triple bonds
22	naro	Number of aromatic bonds
23	nta	Number of all atoms
24	AWeight	Average molecular weight(not including H)
25	PC1	Molecular path counts of length 1-6
26	PC2	Molecular path counts of length 1-6
27	PC3	Molecular path counts of length 1-6
28	PC4	Molecular path counts of length 1-6
29	PC5	Molecular path counts of length 1-6
30	PC6	Molecular path counts of length 1-6