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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.66
Van der Waals volume 340.49
Polar Surface Area 86.99
Van der Waals Surface Area 540.79
Refractivity 94.93

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ELEMENTAL PROPERTIESExact Mass 350.209
Isotope Formula C20H30O5
Dot Disconnected Formula C20H30O5
Dot Disconnected Isotope Formula C20H30O5
Composition C (68.54%), H (8.63%), O (22.83%)
Isotope Composition C (68.54%), H (8.63%), O (22.83%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 25
Aliphatic Bond Count 27
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 57
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 6
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 3
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
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 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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