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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.34
Van der Waals volume 466.17
Polar Surface Area 54.37
Van der Waals Surface Area 755.72
Refractivity 132.7

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ELEMENTAL PROPERTIESExact Mass 452.329
Isotope Formula C30H44O3
Dot Disconnected Formula C30H44O3
Dot Disconnected Isotope Formula C30H44O3
Composition C (79.6%), H (9.8%), O (10.6%)
Isotope Composition C (79.6%), H (9.8%), O (10.6%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 81
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 9
Ring Atom Count 20
Ring Bond Count 24
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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