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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.65
Van der Waals volume 289.64
Polar Surface Area 35.53
Van der Waals Surface Area 456.66
Refractivity 90.93

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ELEMENTAL PROPERTIESExact Mass 298.157
Isotope Formula C19H22O3
Dot Disconnected Formula C19H22O3
Dot Disconnected Isotope Formula C19H22O3
Composition C (76.48%), H (7.43%), O (16.09%)
Isotope Composition C (76.48%), H (7.43%), O (16.09%)
Donor Sites 0
Donor Count 0
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 12
Aliphatic Bond Count 12
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 45
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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