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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.29
Van der Waals volume 793.01
Polar Surface Area 235.68
Van der Waals Surface Area 1263.67
Refractivity 210

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ELEMENTAL PROPERTIESExact Mass 854.466
Isotope Formula C44H70O16
Dot Disconnected Formula C44H70O16
Dot Disconnected Isotope Formula C44H70O16
Composition C (61.81%), H (8.25%), O (29.94%)
Isotope Composition C (61.81%), H (8.25%), O (29.94%)
Donor Sites 8
Donor Count 8
Acceptor Sites 16
Acceptor Count 16


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TOPOLOGICAL PROPERTIESAtom Count130
Aliphatic Atom Count 60
Aliphatic Bond Count 68
Aromatic Bond Count 0
Asymmetric Atom Count 25
Bond Count 138
Chain Atom Count 18
Chain Bond Count 21
Chiral Center Count 25
Ring Atom Count 42
Ring Bond Count 47
Rotatable Bond Count 8
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.