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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.71
Van der Waals volume 745.69
Polar Surface Area 242.13
Van der Waals Surface Area 1189.47
Refractivity 196.2

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ELEMENTAL PROPERTIESExact Mass 796.424
Isotope Formula C41H64O15
Dot Disconnected Formula C41H64O15
Dot Disconnected Isotope Formula C41H64O15
Composition C (61.79%), H (8.09%), O (30.11%)
Isotope Composition C (61.79%), H (8.09%), O (30.11%)
Donor Sites 8
Donor Count 8
Acceptor Sites 17
Acceptor Count 15


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TOPOLOGICAL PROPERTIESAtom Count120
Aliphatic Atom Count 56
Aliphatic Bond Count 62
Aromatic Bond Count 0
Asymmetric Atom Count 19
Bond Count 126
Chain Atom Count 22
Chain Bond Count 24
Chiral Center Count 19
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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