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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.69
Van der Waals volume 597.61
Polar Surface Area 245.04
Van der Waals Surface Area 933.81
Refractivity 156.82

 Top
ELEMENTAL PROPERTIESExact Mass 684.263
Isotope Formula C32H44O16
Dot Disconnected Formula C32H44O16
Dot Disconnected Isotope Formula C32H44O16
Composition C (56.13%), H (6.48%), O (37.39%)
Isotope Composition C (56.13%), H (6.48%), O (37.39%)
Donor Sites 6
Donor Count 6
Acceptor Sites 17
Acceptor Count 13


Top
TOPOLOGICAL PROPERTIESAtom Count92
Aliphatic Atom Count 48
Aliphatic Bond Count 53
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 97
Chain Atom Count 23
Chain Bond Count 24
Chiral Center Count 16
Ring Atom Count 25
Ring Bond Count 29
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
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 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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