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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.67
Van der Waals volume 323.67
Polar Surface Area 46.53
Van der Waals Surface Area 521.71
Refractivity 92.31

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ELEMENTAL PROPERTIESExact Mass 318.219
Isotope Formula C20H30O3
Dot Disconnected Formula C20H30O3
Dot Disconnected Isotope Formula C20H30O3
Composition C (75.43%), H (9.5%), O (15.07%)
Isotope Composition C (75.43%), H (9.5%), O (15.07%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 23
Aliphatic Bond Count 25
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 55
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 5
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
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 5
Smallest Ring System Size 1

 






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