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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.38
Van der Waals volume 277.53
Polar Surface Area 40.46
Van der Waals Surface Area 422.98
Refractivity 82.63

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ELEMENTAL PROPERTIESExact Mass 260.178
Isotope Formula C17H24O2
Dot Disconnected Formula C17H24O2
Dot Disconnected Isotope Formula C17H24O2
Composition C (78.42%), H (9.29%), O (12.29%)
Isotope Composition C (78.42%), H (9.29%), O (12.29%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 19
Aliphatic Bond Count 18
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 42
Chain Atom Count 19
Chain Bond Count 18
Chiral Center Count 2
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 11
Stereo Double Bond Count 1
Aliphatic Ring Count 0
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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