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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.96
Van der Waals volume 348.2
Polar Surface Area 114.68
Van der Waals Surface Area 565.86
Refractivity 90.04

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ELEMENTAL PROPERTIESExact Mass 374.194
Isotope Formula C18H30O8
Dot Disconnected Formula C18H30O8
Dot Disconnected Isotope Formula C18H30O8
Composition C (57.74%), H (8.08%), O (34.18%)
Isotope Composition C (57.74%), H (8.08%), O (34.18%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 58
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 10
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 4
Stereo Double Bond Count 0
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 6
Smallest Ring System Size 1

 






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