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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.93
Van der Waals volume 314.71
Polar Surface Area 85.36
Van der Waals Surface Area 499.78
Refractivity 89.19

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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 5


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 25
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 52
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 7
Ring Atom Count 14
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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