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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.04
Van der Waals volume 296.08
Polar Surface Area 64.99
Van der Waals Surface Area 457.19
Refractivity 95.37

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ELEMENTAL PROPERTIESExact Mass 338.115
Isotope Formula C20H18O5
Dot Disconnected Formula C20H18O5
Dot Disconnected Isotope Formula C20H18O5
Composition C (70.99%), H (5.36%), O (23.64%)
Isotope Composition C (70.99%), H (5.36%), O (23.64%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 46
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 21
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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