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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.63
Van der Waals volume 380.81
Polar Surface Area 40.46
Van der Waals Surface Area 652.49
Refractivity 109.79

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ELEMENTAL PROPERTIESExact Mass 346.287
Isotope Formula C23H38O2
Dot Disconnected Formula C23H38O2
Dot Disconnected Isotope Formula C23H38O2
Composition C (79.71%), H (11.05%), O (9.23%)
Isotope Composition C (79.71%), H (11.05%), O (9.23%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 19
Aliphatic Bond Count 19
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 63
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 15
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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