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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.17
Van der Waals volume 314.48
Polar Surface Area 83.45
Van der Waals Surface Area 496.12
Refractivity 98.9

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ELEMENTAL PROPERTIESExact Mass 380.09
Isotope Formula C21H16O7
Dot Disconnected Formula C21H16O7
Dot Disconnected Isotope Formula C21H16O7
Composition C (66.31%), H (4.24%), O (29.45%)
Isotope Composition C (66.31%), H (4.24%), O (29.45%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 12
Aliphatic Bond Count 15
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 48
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 2

 






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