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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.06
Van der Waals volume 265.45
Polar Surface Area 49.69
Van der Waals Surface Area 406.78
Refractivity 84.84

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ELEMENTAL PROPERTIESExact Mass 282.126
Isotope Formula C18H18O3
Dot Disconnected Formula C18H18O3
Dot Disconnected Isotope Formula C18H18O3
Composition C (76.57%), H (6.43%), O (17%)
Isotope Composition C (76.57%), H (6.43%), O (17%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 9
Aliphatic Bond Count 10
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 40
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 6
Stereo Double Bond Count 0
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.