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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.56
Van der Waals volume 497.97
Polar Surface Area 111.9
Van der Waals Surface Area 807.01
Refractivity 140.4

 Top
ELEMENTAL PROPERTIESExact Mass 500.314
Isotope Formula C30H44O6
Dot Disconnected Formula C30H44O6
Dot Disconnected Isotope Formula C30H44O6
Composition C (71.97%), H (8.86%), O (19.17%)
Isotope Composition C (71.97%), H (8.86%), O (19.17%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 36
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 83
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 1
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.