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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.96
Van der Waals volume 483.89
Polar Surface Area 57.53
Van der Waals Surface Area 796.22
Refractivity 136.97

Top
ELEMENTAL PROPERTIESExact Mass 456.36
Isotope Formula C30H48O3
Dot Disconnected Formula C30H48O3
Dot Disconnected Isotope Formula C30H48O3
Composition C (78.9%), H (10.59%), O (10.51%)
Isotope Composition C (78.9%), H (10.59%), O (10.51%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 33
Aliphatic Bond Count 36
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 84
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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