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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.67
Van der Waals volume 1051.66
Polar Surface Area 561.25
Van der Waals Surface Area 1568.47
Refractivity 301.87

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ELEMENTAL PROPERTIESExact Mass 1289.3
Isotope Formula C57H61O34
Dot Disconnected Formula C57H61O34
Dot Disconnected Isotope Formula C57H61O34
Composition C (53.07%), H (4.77%), O (42.17%)
Isotope Composition C (53.07%), H (4.77%), O (42.17%)
Donor Sites 20
Donor Count 20
Acceptor Sites 34
Acceptor Count 31


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TOPOLOGICAL PROPERTIESAtom Count152
Aliphatic Atom Count 63
Aliphatic Bond Count 70
Aromatic Bond Count 29
Asymmetric Atom Count 20
Bond Count 160
Chain Atom Count 39
Chain Bond Count 46
Chiral Center Count 20
Ring Atom Count 52
Ring Bond Count 53
Rotatable Bond Count 21
Stereo Double Bond Count 2
Aliphatic Ring Count 4
Aromatic Ring Count 5
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 5
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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