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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.21
Van der Waals volume 869.75
Polar Surface Area 294.98
Van der Waals Surface Area 1371.52
Refractivity 225.83

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ELEMENTAL PROPERTIESExact Mass 928.503
Isotope Formula C47H76O18
Dot Disconnected Formula C47H76O18
Dot Disconnected Isotope Formula C47H76O18
Composition C (60.76%), H (8.24%), O (31%)
Isotope Composition C (60.76%), H (8.24%), O (31%)
Donor Sites 11
Donor Count 11
Acceptor Sites 19
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count141
Aliphatic Atom Count 65
Aliphatic Bond Count 72
Aromatic Bond Count 0
Asymmetric Atom Count 25
Bond Count 148
Chain Atom Count 25
Chain Bond Count 28
Chiral Center Count 25
Ring Atom Count 40
Ring Bond Count 44
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 8
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 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 8
Smallest Ring Size 6
Smallest Ring System Size 1

 






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