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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.81
Van der Waals volume 710.33
Polar Surface Area 220.13
Van der Waals Surface Area 1141.69
Refractivity 187.09

 Top
ELEMENTAL PROPERTIESExact Mass 768.393
Isotope Formula C39H60O15
Dot Disconnected Formula C39H60O15
Dot Disconnected Isotope Formula C39H60O15
Composition C (60.92%), H (7.87%), O (31.21%)
Isotope Composition C (60.92%), H (7.87%), O (31.21%)
Donor Sites 6
Donor Count 6
Acceptor Sites 15
Acceptor Count 13


Top
TOPOLOGICAL PROPERTIESAtom Count114
Aliphatic Atom Count 54
Aliphatic Bond Count 60
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 120
Chain Atom Count 20
Chain Bond Count 23
Chiral Center Count 18
Ring Atom Count 34
Ring Bond Count 37
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 7
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 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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