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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.31
Van der Waals volume 312.27
Polar Surface Area 37.3
Van der Waals Surface Area 427.96
Refractivity 87.83

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ELEMENTAL PROPERTIESExact Mass 302.225
Isotope Formula C20H30O2
Dot Disconnected Formula C20H30O2
Dot Disconnected Isotope Formula C20H30O2
Composition C (79.42%), H (10%), O (10.58%)
Isotope Composition C (79.42%), H (10%), O (10.58%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 22
Aliphatic Bond Count 25
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 55
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 6
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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