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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.22
Van der Waals volume 271.55
Polar Surface Area 49.69
Van der Waals Surface Area 427.82
Refractivity 199.96

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ELEMENTAL PROPERTIESExact Mass 284.141
Isotope Formula C18H20O3
Dot Disconnected Formula C18H20O3
Dot Disconnected Isotope Formula C18H20O3
Composition C (76.03%), H (7.09%), O (16.88%)
Isotope Composition C (76.03%), H (7.09%), O (16.88%)
Donor Sites 2
Donor Count 2
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 43
Chain Atom Count 4
Chain Bond Count 6
Chiral Center Count 4
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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