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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.52
Van der Waals volume 479.84
Polar Surface Area 49.69
Van der Waals Surface Area 789.78
Refractivity 136.16

 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 3
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 85
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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