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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.27
Van der Waals volume 710.74
Polar Surface Area 195.6
Van der Waals Surface Area 1136.76
Refractivity 188

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ELEMENTAL PROPERTIESExact Mass 736.44
Isotope Formula C40H64O12
Dot Disconnected Formula C40H64O12
Dot Disconnected Isotope Formula C40H64O12
Composition C (65.19%), H (8.75%), O (26.05%)
Isotope Composition C (65.19%), H (8.75%), O (26.05%)
Donor Sites 7
Donor Count 7
Acceptor Sites 13
Acceptor Count 12


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TOPOLOGICAL PROPERTIESAtom Count116
Aliphatic Atom Count 52
Aliphatic Bond Count 58
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 122
Chain Atom Count 18
Chain Bond Count 20
Chiral Center Count 18
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 7
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 2
Heteroaliphatic Ring Count 2
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.