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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.27
Van der Waals volume 230.63
Polar Surface Area 66.76
Van der Waals Surface Area 359.44
Refractivity 70.91

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ELEMENTAL PROPERTIESExact Mass 248.105
Isotope Formula C14H16O4
Dot Disconnected Formula C14H16O4
Dot Disconnected Isotope Formula C14H16O4
Composition C (67.73%), H (6.5%), O (25.78%)
Isotope Composition C (67.73%), H (6.5%), O (25.78%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 12
Aliphatic Bond Count 12
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 34
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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