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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.58
Van der Waals volume 402.04
Polar Surface Area 69.67
Van der Waals Surface Area 638.37
Refractivity 113.87

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ELEMENTAL PROPERTIESExact Mass 402.241
Isotope Formula C24H34O5
Dot Disconnected Formula C24H34O5
Dot Disconnected Isotope Formula C24H34O5
Composition C (71.61%), H (8.51%), O (19.87%)
Isotope Composition C (71.61%), H (8.51%), O (19.87%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 29
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 64
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 4
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 2
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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