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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.5
Van der Waals volume 619.42
Polar Surface Area 128.59
Van der Waals Surface Area 971
Refractivity 184.4

 Top
ELEMENTAL PROPERTIESExact Mass 660.33
Isotope Formula C39H48O9
Dot Disconnected Formula C39H48O9
Dot Disconnected Isotope Formula C39H48O9
Composition C (70.89%), H (7.32%), O (21.79%)
Isotope Composition C (70.89%), H (7.32%), O (21.79%)
Donor Sites 2
Donor Count 2
Acceptor Sites 12
Acceptor Count 9


Top
TOPOLOGICAL PROPERTIESAtom Count96
Aliphatic Atom Count 42
Aliphatic Bond Count 47
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 101
Chain Atom Count 26
Chain Bond Count 26
Chiral Center Count 7
Ring Atom Count 22
Ring Bond Count 27
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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