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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.44
Van der Waals volume 245.64
Polar Surface Area 116.45
Van der Waals Surface Area 381.66
Refractivity 65.75

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ELEMENTAL PROPERTIESExact Mass 284.09
Isotope Formula C13H16O7
Dot Disconnected Formula C13H16O7
Dot Disconnected Isotope Formula C13H16O7
Composition C (54.93%), H (5.67%), O (39.4%)
Isotope Composition C (54.93%), H (5.67%), O (39.4%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count36
Aliphatic Atom Count 14
Aliphatic Bond Count 15
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 37
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 5
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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