NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.66
Van der Waals volume 881.77
Polar Surface Area 263.39
Van der Waals Surface Area 1419.53
Refractivity 229.19

 Top
ELEMENTAL PROPERTIESExact Mass 925.54
Isotope Formula C48H79NO16
Dot Disconnected Formula C48H79NO16
Dot Disconnected Isotope Formula C48H79NO16
Composition C (62.25%), H (8.6%), N (1.51%), O (27.64%)
Isotope Composition C (62.25%), H (8.6%), N (1.51%), O (27.64%)
Donor Sites 9
Donor Count 9
Acceptor Sites 18
Acceptor Count 16


Top
TOPOLOGICAL PROPERTIESAtom Count144
Aliphatic Atom Count 65
Aliphatic Bond Count 72
Aromatic Bond Count 0
Asymmetric Atom Count 22
Bond Count 151
Chain Atom Count 25
Chain Bond Count 28
Chiral Center Count 22
Ring Atom Count 40
Ring Bond Count 44
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 8
Smallest Ring Size 6
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.