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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.58
Van der Waals volume 324.1
Polar Surface Area 86.99
Van der Waals Surface Area 523.17
Refractivity 92.71

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ELEMENTAL PROPERTIESExact Mass 346.178
Isotope Formula C20H26O5
Dot Disconnected Formula C20H26O5
Dot Disconnected Isotope Formula C20H26O5
Composition C (69.34%), H (7.56%), O (23.09%)
Isotope Composition C (69.34%), H (7.56%), O (23.09%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 19
Aliphatic Bond Count 22
Aromatic Bond Count 6
Asymmetric Atom Count 4
Bond Count 54
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 4
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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