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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.46
Van der Waals volume 401.98
Polar Surface Area 93.2
Van der Waals Surface Area 644.47
Refractivity 118.98

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ELEMENTAL PROPERTIESExact Mass 426.204
Isotope Formula C25H30O6
Dot Disconnected Formula C25H30O6
Dot Disconnected Isotope Formula C25H30O6
Composition C (70.4%), H (7.09%), O (22.51%)
Isotope Composition C (70.4%), H (7.09%), O (22.51%)
Donor Sites 1
Donor Count 1
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 25
Aliphatic Bond Count 27
Aromatic Bond Count 6
Asymmetric Atom Count 2
Bond Count 63
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 2
Ring Atom Count 13
Ring Bond Count 14
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 3
Smallest Ring System Size 1

 






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