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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.59
Van der Waals volume 538.98
Polar Surface Area 156.91
Van der Waals Surface Area 812
Refractivity 166.19

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ELEMENTAL PROPERTIESExact Mass 598.22
Isotope Formula C35H34O9
Dot Disconnected Formula C35H34O9
Dot Disconnected Isotope Formula C35H34O9
Composition C (70.22%), H (5.72%), O (24.05%)
Isotope Composition C (70.22%), H (5.72%), O (24.05%)
Donor Sites 6
Donor Count 6
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count78
Aliphatic Atom Count 20
Aliphatic Bond Count 24
Aromatic Bond Count 24
Asymmetric Atom Count 4
Bond Count 82
Chain Atom Count 14
Chain Bond Count 18
Chiral Center Count 4
Ring Atom Count 30
Ring Bond Count 30
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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