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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.85
Van der Waals volume 608.24
Polar Surface Area 214.44
Van der Waals Surface Area 914.41
Refractivity 190.35

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ELEMENTAL PROPERTIESExact Mass 708.221
Isotope Formula C40H36O12
Dot Disconnected Formula C40H36O12
Dot Disconnected Isotope Formula C40H36O12
Composition C (67.79%), H (5.12%), O (27.09%)
Isotope Composition C (67.79%), H (5.12%), O (27.09%)
Donor Sites 8
Donor Count 8
Acceptor Sites 14
Acceptor Count 12


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TOPOLOGICAL PROPERTIESAtom Count88
Aliphatic Atom Count 28
Aliphatic Bond Count 34
Aromatic Bond Count 24
Asymmetric Atom Count 5
Bond Count 94
Chain Atom Count 17
Chain Bond Count 20
Chiral Center Count 5
Ring Atom Count 35
Ring Bond Count 38
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 4
Carbo Ring Count 5
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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