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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.39
Van der Waals volume 438.44
Polar Surface Area 167.91
Van der Waals Surface Area 664.68
Refractivity 138.05

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ELEMENTAL PROPERTIESExact Mass 516.142
Isotope Formula C29H24O9
Dot Disconnected Formula C29H24O9
Dot Disconnected Isotope Formula C29H24O9
Composition C (67.44%), H (4.68%), O (27.88%)
Isotope Composition C (67.44%), H (4.68%), O (27.88%)
Donor Sites 7
Donor Count 7
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 14
Aliphatic Bond Count 18
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 66
Chain Atom Count 10
Chain Bond Count 13
Chiral Center Count 2
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
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 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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