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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.42
Van der Waals volume 550.44
Polar Surface Area 61.86
Van der Waals Surface Area 891.1
Refractivity 172.96

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ELEMENTAL PROPERTIESExact Mass 606.273
Isotope Formula C37H38N2O6
Dot Disconnected Formula C37H38N2O6
Dot Disconnected Isotope Formula C37H38N2O6
Composition C (73.25%), H (6.31%), N (4.62%), O (15.82%)
Isotope Composition C (73.25%), H (6.31%), N (4.62%), O (15.82%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 21
Aliphatic Bond Count 28
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 90
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 2
Ring Atom Count 39
Ring Bond Count 46
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 8
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 18
Largest Ring System Size 8
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 8

 






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