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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.58
Van der Waals volume 322.5
Polar Surface Area 89.9
Van der Waals Surface Area 496.58
Refractivity 92.37

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ELEMENTAL PROPERTIESExact Mass 348.157
Isotope Formula C19H24O6
Dot Disconnected Formula C19H24O6
Dot Disconnected Isotope Formula C19H24O6
Composition C (65.5%), H (6.94%), O (27.55%)
Isotope Composition C (65.5%), H (6.94%), O (27.55%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 25
Aliphatic Bond Count 26
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 50
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 4
Ring Atom Count 13
Ring Bond Count 14
Rotatable Bond Count 3
Stereo Double Bond Count 2
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 10
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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