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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.05
Van der Waals volume 557.35
Polar Surface Area 140.98
Van der Waals Surface Area 903.29
Refractivity 149.96

 Top
ELEMENTAL PROPERTIESExact Mass 592.325
Isotope Formula C32H48O10
Dot Disconnected Formula C32H48O10
Dot Disconnected Isotope Formula C32H48O10
Composition C (64.84%), H (8.16%), O (26.99%)
Isotope Composition C (64.84%), H (8.16%), O (26.99%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count90
Aliphatic Atom Count 42
Aliphatic Bond Count 47
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 95
Chain Atom Count 14
Chain Bond Count 16
Chiral Center Count 14
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 6
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.