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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.72
Van der Waals volume 453.78
Polar Surface Area 134.66
Van der Waals Surface Area 725.72
Refractivity 121.18

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ELEMENTAL PROPERTIESExact Mass 506.215
Isotope Formula C26H34O10
Dot Disconnected Formula C26H34O10
Dot Disconnected Isotope Formula C26H34O10
Composition C (61.65%), H (6.77%), O (31.59%)
Isotope Composition C (61.65%), H (6.77%), O (31.59%)
Donor Sites 1
Donor Count 1
Acceptor Sites 10
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 36
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 74
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 11
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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