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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.65
Van der Waals volume 270.52
Polar Surface Area 74.6
Van der Waals Surface Area 413.07
Refractivity 84.92

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ELEMENTAL PROPERTIESExact Mass 296.105
Isotope Formula C18H16O4
Dot Disconnected Formula C18H16O4
Dot Disconnected Isotope Formula C18H16O4
Composition C (72.96%), H (5.44%), O (21.6%)
Isotope Composition C (72.96%), H (5.44%), O (21.6%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 10
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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