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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.87
Van der Waals volume 268.86
Polar Surface Area 64.63
Van der Waals Surface Area 412.86
Refractivity 83.45

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ELEMENTAL PROPERTIESExact Mass 299.116
Isotope Formula C17H17NO4
Dot Disconnected Formula C17H17NO4
Dot Disconnected Isotope Formula C17H17NO4
Composition C (68.21%), H (5.72%), N (4.68%), O (21.38%)
Isotope Composition C (68.21%), H (5.72%), N (4.68%), O (21.38%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 10
Aliphatic Bond Count 12
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 41
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 1
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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