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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.19
Van der Waals volume 268.41
Polar Surface Area 55.76
Van der Waals Surface Area 437.28
Refractivity 80.69

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ELEMENTAL PROPERTIESExact Mass 286.121
Isotope Formula C17H18O4
Dot Disconnected Formula C17H18O4
Dot Disconnected Isotope Formula C17H18O4
Composition C (71.31%), H (6.34%), O (22.35%)
Isotope Composition C (71.31%), H (6.34%), O (22.35%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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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.