NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.93
Van der Waals volume 298.85
Polar Surface Area 32.78
Van der Waals Surface Area 452.02
Refractivity 94.51

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ELEMENTAL PROPERTIESExact Mass 334.168
Isotope Formula C21H22N2O2
Dot Disconnected Formula C21H22N2O2
Dot Disconnected Isotope Formula C21H22N2O2
Composition C (75.42%), H (6.63%), N (8.38%), O (9.57%)
Isotope Composition C (75.42%), H (6.63%), N (8.38%), O (9.57%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 19
Aliphatic Bond Count 25
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 53
Chain Atom Count 1
Chain Bond Count 1
Chiral Center Count 7
Ring Atom Count 24
Ring Bond Count 30
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 7
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 7

 






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