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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.73
Van der Waals volume 357.73
Polar Surface Area 182.85
Van der Waals Surface Area 512.71
Refractivity 113.45

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ELEMENTAL PROPERTIESExact Mass 433.101
Isotope Formula C20H19NO10
Dot Disconnected Formula C20H19NO10
Dot Disconnected Isotope Formula C20H19NO10
Composition C (55.43%), H (4.42%), N (3.23%), O (36.92%)
Isotope Composition C (55.43%), H (4.42%), N (3.23%), O (36.92%)
Donor Sites 6
Donor Count 6
Acceptor Sites 14
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 19
Aliphatic Bond Count 21
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 52
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 3
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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