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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.42
Van der Waals volume 861.02
Polar Surface Area 255.91
Van der Waals Surface Area 1384.89
Refractivity 225.03

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ELEMENTAL PROPERTIESExact Mass 914.524
Isotope Formula C47H78O17
Dot Disconnected Formula C47H78O17
Dot Disconnected Isotope Formula C47H78O17
Composition C (61.69%), H (8.59%), O (29.72%)
Isotope Composition C (61.69%), H (8.59%), O (29.72%)
Donor Sites 9
Donor Count 9
Acceptor Sites 17
Acceptor Count 17


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TOPOLOGICAL PROPERTIESAtom Count142
Aliphatic Atom Count 64
Aliphatic Bond Count 72
Aromatic Bond Count 0
Asymmetric Atom Count 26
Bond Count 150
Chain Atom Count 21
Chain Bond Count 24
Chiral Center Count 26
Ring Atom Count 43
Ring Bond Count 48
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 9
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 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 9
Smallest Ring Size 5
Smallest Ring System Size 1

 






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