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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.17
Van der Waals volume 417.98
Polar Surface Area 82.06
Van der Waals Surface Area 645.32
Refractivity 121.11

 Top
ELEMENTAL PROPERTIESExact Mass 454.236
Isotope Formula C27H34O6
Dot Disconnected Formula C27H34O6
Dot Disconnected Isotope Formula C27H34O6
Composition C (71.34%), H (7.54%), O (21.12%)
Isotope Composition C (71.34%), H (7.54%), O (21.12%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count67
Aliphatic Atom Count 33
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 73
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 13
Ring Atom Count 26
Ring Bond Count 31
Rotatable Bond Count 1
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 6
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 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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