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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.36
Van der Waals volume 638.5
Polar Surface Area 107.22
Van der Waals Surface Area 1053.11
Refractivity 177.04

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ELEMENTAL PROPERTIESExact Mass 624.439
Isotope Formula C39H60O6
Dot Disconnected Formula C39H60O6
Dot Disconnected Isotope Formula C39H60O6
Composition C (74.96%), H (9.68%), O (15.36%)
Isotope Composition C (74.96%), H (9.68%), O (15.36%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count105
Aliphatic Atom Count 39
Aliphatic Bond Count 44
Aromatic Bond Count 6
Asymmetric Atom Count 10
Bond Count 110
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
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 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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