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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.32
Van der Waals volume 472.74
Polar Surface Area 77.76
Van der Waals Surface Area 757.11
Refractivity 130.86

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ELEMENTAL PROPERTIESExact Mass 458.34
Isotope Formula C29H46O4
Dot Disconnected Formula C29H46O4
Dot Disconnected Isotope Formula C29H46O4
Composition C (75.94%), H (10.11%), O (13.95%)
Isotope Composition C (75.94%), H (10.11%), O (13.95%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count79
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 83
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 11
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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