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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.28
Van der Waals volume 344.38
Polar Surface Area 112.91
Van der Waals Surface Area 550.75
Refractivity 103.24

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ELEMENTAL PROPERTIESExact Mass 404.111
Isotope Formula C20H20O9
Dot Disconnected Formula C20H20O9
Dot Disconnected Isotope Formula C20H20O9
Composition C (59.4%), H (4.99%), O (35.61%)
Isotope Composition C (59.4%), H (4.99%), O (35.61%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 13
Aliphatic Bond Count 14
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 51
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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