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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.49
Van der Waals volume 464.28
Polar Surface Area 52.52
Van der Waals Surface Area 768.71
Refractivity 139.54

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ELEMENTAL PROPERTIESExact Mass 478.283
Isotope Formula C29H38N2O4
Dot Disconnected Formula C29H38N2O4
Dot Disconnected Isotope Formula C29H38N2O4
Composition C (72.77%), H (8%), N (5.85%), O (13.37%)
Isotope Composition C (72.77%), H (8%), N (5.85%), O (13.37%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count73
Aliphatic Atom Count 23
Aliphatic Bond Count 27
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 77
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 3
Ring Atom Count 24
Ring Bond Count 27
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 2

 






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