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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.56
Van der Waals volume 514.34
Polar Surface Area 128.59
Van der Waals Surface Area 793.87
Refractivity 146.63

Top
ELEMENTAL PROPERTIESExact Mass 554.252
Isotope Formula C31H38O9
Dot Disconnected Formula C31H38O9
Dot Disconnected Isotope Formula C31H38O9
Composition C (67.13%), H (6.91%), O (25.96%)
Isotope Composition C (67.13%), H (6.91%), O (25.96%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count78
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 81
Chain Atom Count 21
Chain Bond Count 22
Chiral Center Count 8
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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