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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.88
Van der Waals volume 303.19
Polar Surface Area 40.8
Van der Waals Surface Area 487.09
Refractivity 97.98

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ELEMENTAL PROPERTIESExact Mass 348.124
Isotope Formula C21H18NO4
Dot Disconnected Formula C21H18NO4
Dot Disconnected Isotope Formula C21H18NO4
Composition C (72.4%), H (5.21%), N (4.02%), O (18.37%)
Isotope Composition C (72.4%), H (5.21%), N (4.02%), O (18.37%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 21
Asymmetric Atom Count 0
Bond Count 48
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
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.