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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.26
Van der Waals volume 588.59
Polar Surface Area 140.26
Van der Waals Surface Area 931.19
Refractivity 177.8

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ELEMENTAL PROPERTIESExact Mass 638.263
Isotope Formula C37H38N2O8
Dot Disconnected Formula C37H38N2O8
Dot Disconnected Isotope Formula C37H38N2O8
Composition C (69.58%), H (6%), N (4.39%), O (20.04%)
Isotope Composition C (69.58%), H (6%), N (4.39%), O (20.04%)
Donor Sites 3
Donor Count 3
Acceptor Sites 12
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count85
Aliphatic Atom Count 23
Aliphatic Bond Count 26
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 88
Chain Atom Count 23
Chain Bond Count 26
Chiral Center Count 2
Ring Atom Count 24
Ring Bond Count 24
Rotatable Bond Count 16
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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