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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.69
Van der Waals volume 376.92
Polar Surface Area 86.99
Van der Waals Surface Area 604.89
Refractivity 105.19

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ELEMENTAL PROPERTIESExact Mass 390.241
Isotope Formula C23H34O5
Dot Disconnected Formula C23H34O5
Dot Disconnected Isotope Formula C23H34O5
Composition C (70.74%), H (8.78%), O (20.49%)
Isotope Composition C (70.74%), H (8.78%), O (20.49%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 28
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 66
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 9
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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