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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.05
Van der Waals volume 611.78
Polar Surface Area 145.91
Van der Waals Surface Area 935.21
Refractivity 193.69

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ELEMENTAL PROPERTIESExact Mass 686.252
Isotope Formula C42H38O9
Dot Disconnected Formula C42H38O9
Dot Disconnected Isotope Formula C42H38O9
Composition C (73.46%), H (5.58%), O (20.97%)
Isotope Composition C (73.46%), H (5.58%), O (20.97%)
Donor Sites 5
Donor Count 5
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count89
Aliphatic Atom Count 21
Aliphatic Bond Count 27
Aromatic Bond Count 30
Asymmetric Atom Count 5
Bond Count 95
Chain Atom Count 13
Chain Bond Count 17
Chiral Center Count 5
Ring Atom Count 38
Ring Bond Count 40
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 5
Carbo Ring Count 5
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 5
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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