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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.3
Van der Waals volume 521.08
Polar Surface Area 141.36
Van der Waals Surface Area 793.4
Refractivity 154.7

 Top
ELEMENTAL PROPERTIESExact Mass 542.288
Isotope Formula C31H42O8
Dot Disconnected Formula C31H42O8
Dot Disconnected Isotope Formula C31H42O8
Composition C (68.61%), H (7.8%), O (23.59%)
Isotope Composition C (68.61%), H (7.8%), O (23.59%)
Donor Sites 4
Donor Count 4
Acceptor Sites 10
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 39
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 82
Chain Atom Count 29
Chain Bond Count 29
Chiral Center Count 7
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 12
Stereo Double Bond Count 4
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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