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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.17
Van der Waals volume 585.75
Polar Surface Area 126.79
Van der Waals Surface Area 919.73
Refractivity 177.04

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ELEMENTAL PROPERTIESExact Mass 650.263
Isotope Formula C38H38N2O8
Dot Disconnected Formula C38H38N2O8
Dot Disconnected Isotope Formula C38H38N2O8
Composition C (70.14%), H (5.89%), N (4.31%), O (19.67%)
Isotope Composition C (70.14%), H (5.89%), N (4.31%), O (19.67%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 24
Aliphatic Bond Count 30
Aromatic Bond Count 24
Asymmetric Atom Count 5
Bond Count 92
Chain Atom Count 16
Chain Bond Count 19
Chiral Center Count 5
Ring Atom Count 32
Ring Bond Count 35
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 4
Carbo Ring Count 5
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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