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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.64
Van der Waals volume 531.78
Polar Surface Area 117.59
Van der Waals Surface Area 834.86
Refractivity 151.58

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ELEMENTAL PROPERTIESExact Mass 568.267
Isotope Formula C32H40O9
Dot Disconnected Formula C32H40O9
Dot Disconnected Isotope Formula C32H40O9
Composition C (67.59%), H (7.09%), O (25.32%)
Isotope Composition C (67.59%), H (7.09%), O (25.32%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 35
Aliphatic Bond Count 38
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 84
Chain Atom Count 22
Chain Bond Count 23
Chiral Center Count 7
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 11
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.