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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.4
Van der Waals volume 748.31
Polar Surface Area 207.99
Van der Waals Surface Area 1205.51
Refractivity 198.31

 Top
ELEMENTAL PROPERTIESExact Mass 780.466
Isotope Formula C42H68O13
Dot Disconnected Formula C42H68O13
Dot Disconnected Isotope Formula C42H68O13
Composition C (64.59%), H (8.78%), O (26.63%)
Isotope Composition C (64.59%), H (8.78%), O (26.63%)
Donor Sites 8
Donor Count 8
Acceptor Sites 13
Acceptor Count 13


Top
TOPOLOGICAL PROPERTIESAtom Count123
Aliphatic Atom Count 55
Aliphatic Bond Count 62
Aromatic Bond Count 0
Asymmetric Atom Count 21
Bond Count 130
Chain Atom Count 19
Chain Bond Count 21
Chiral Center Count 21
Ring Atom Count 36
Ring Bond Count 41
Rotatable Bond Count 6
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 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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