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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.17
Van der Waals volume 651.67
Polar Surface Area 107.22
Van der Waals Surface Area 1094.42
Refractivity 181.26

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ELEMENTAL PROPERTIESExact Mass 606.486
Isotope Formula C37H66O6
Dot Disconnected Formula C37H66O6
Dot Disconnected Isotope Formula C37H66O6
Composition C (73.22%), H (10.96%), O (15.82%)
Isotope Composition C (73.22%), H (10.96%), O (15.82%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count109
Aliphatic Atom Count 43
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 109
Chain Atom Count 38
Chain Bond Count 38
Chiral Center Count 5
Ring Atom Count 5
Ring Bond Count 5
Rotatable Bond Count 29
Stereo Double Bond Count 2
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 5
Smallest Ring System Size 1

 






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