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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0
Van der Waals volume 315.14
Polar Surface Area 37.3
Van der Waals Surface Area 509.35
Refractivity 90.33

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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 24
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 54
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 5
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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