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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.85
Van der Waals volume 531.66
Polar Surface Area 100.9
Van der Waals Surface Area 829.89
Refractivity 153.74

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ELEMENTAL PROPERTIESExact Mass 526.329
Isotope Formula C32H46O6
Dot Disconnected Formula C32H46O6
Dot Disconnected Isotope Formula C32H46O6
Composition C (72.97%), H (8.8%), O (18.23%)
Isotope Composition C (72.97%), H (8.8%), O (18.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 38
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 85
Chain Atom Count 28
Chain Bond Count 28
Chiral Center Count 5
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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