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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.66
Van der Waals volume 639.67
Polar Surface Area 145.55
Van der Waals Surface Area 1019.87
Refractivity 180.85

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ELEMENTAL PROPERTIESExact Mass 635.44
Isotope Formula C36H61NO8
Dot Disconnected Formula C36H61NO8
Dot Disconnected Isotope Formula C36H61NO8
Composition C (68%), H (9.67%), N (2.2%), O (20.13%)
Isotope Composition C (68%), H (9.67%), N (2.2%), O (20.13%)
Donor Sites 5
Donor Count 5
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count106
Aliphatic Atom Count 45
Aliphatic Bond Count 49
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 110
Chain Atom Count 27
Chain Bond Count 27
Chiral Center Count 13
Ring Atom Count 18
Ring Bond Count 22
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 3
Smallest Ring System Size 5

 






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