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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.52
Van der Waals volume 490.69
Polar Surface Area 77.76
Van der Waals Surface Area 808.89
Refractivity 134.99

Top
ELEMENTAL PROPERTIESExact Mass 472.355
Isotope Formula C30H48O4
Dot Disconnected Formula C30H48O4
Dot Disconnected Isotope Formula C30H48O4
Composition C (76.23%), H (10.24%), O (13.54%)
Isotope Composition C (76.23%), H (10.24%), O (13.54%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 34
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 86
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 9
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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