NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.59
Van der Waals volume 572.28
Polar Surface Area 120.75
Van der Waals Surface Area 874.88
Refractivity 170.1

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ELEMENTAL PROPERTIESExact Mass 628.267
Isotope Formula C37H40O9
Dot Disconnected Formula C37H40O9
Dot Disconnected Isotope Formula C37H40O9
Composition C (70.68%), H (6.41%), O (22.9%)
Isotope Composition C (70.68%), H (6.41%), O (22.9%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 34
Aliphatic Bond Count 40
Aromatic Bond Count 12
Asymmetric Atom Count 8
Bond Count 92
Chain Atom Count 16
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 30
Ring Bond Count 34
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 2
Carbo Ring Count 5
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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