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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.57
Van der Waals volume 313.09
Polar Surface Area 86.99
Van der Waals Surface Area 498.86
Refractivity 96.47

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ELEMENTAL PROPERTIESExact Mass 342.147
Isotope Formula C20H22O5
Dot Disconnected Formula C20H22O5
Dot Disconnected Isotope Formula C20H22O5
Composition C (70.16%), H (6.48%), O (23.36%)
Isotope Composition C (70.16%), H (6.48%), O (23.36%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 11
Asymmetric Atom Count 1
Bond Count 49
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 1
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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