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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.99
Van der Waals volume 513.63
Polar Surface Area 114.68
Van der Waals Surface Area 833.65
Refractivity 139.26

 Top
ELEMENTAL PROPERTIESExact Mass 534.319
Isotope Formula C30H46O8
Dot Disconnected Formula C30H46O8
Dot Disconnected Isotope Formula C30H46O8
Composition C (67.39%), H (8.67%), O (23.94%)
Isotope Composition C (67.39%), H (8.67%), O (23.94%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 38
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 89
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 13
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 6
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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