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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.82
Van der Waals volume 288.54
Polar Surface Area 37.3
Van der Waals Surface Area 466.28
Refractivity 89.45

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ELEMENTAL PROPERTIESExact Mass 296.178
Isotope Formula C20H24O2
Dot Disconnected Formula C20H24O2
Dot Disconnected Isotope Formula C20H24O2
Composition C (81.04%), H (8.16%), O (10.8%)
Isotope Composition C (81.04%), H (8.16%), O (10.8%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 16
Aliphatic Bond Count 19
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 49
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 3
Ring Atom Count 15
Ring Bond Count 18
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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