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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.59
Van der Waals volume 394.52
Polar Surface Area 202.32
Van der Waals Surface Area 603.18
Refractivity 102.51

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ELEMENTAL PROPERTIESExact Mass 457.158
Isotope Formula C20H27NO11
Dot Disconnected Formula C20H27NO11
Dot Disconnected Isotope Formula C20H27NO11
Composition C (52.51%), H (5.95%), N (3.06%), O (38.47%)
Isotope Composition C (52.51%), H (5.95%), N (3.06%), O (38.47%)
Donor Sites 7
Donor Count 7
Acceptor Sites 12
Acceptor Count 12


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TOPOLOGICAL PROPERTIESAtom Count59
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 6
Asymmetric Atom Count 11
Bond Count 61
Chain Atom Count 14
Chain Bond Count 16
Chiral Center Count 11
Ring Atom Count 18
Ring Bond Count 18
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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