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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.33
Van der Waals volume 561.7
Polar Surface Area 72.86
Van der Waals Surface Area 910.31
Refractivity 175.63

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ELEMENTAL PROPERTIESExact Mass 608.289
Isotope Formula C37H40N2O6
Dot Disconnected Formula C37H40N2O6
Dot Disconnected Isotope Formula C37H40N2O6
Composition C (73%), H (6.62%), N (4.6%), O (15.77%)
Isotope Composition C (73%), H (6.62%), N (4.6%), O (15.77%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count85
Aliphatic Atom Count 21
Aliphatic Bond Count 27
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 91
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 2
Ring Atom Count 36
Ring Bond Count 42
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
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 7
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 18
Largest Ring System Size 7
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 7

 






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