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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.47
Van der Waals volume 408.66
Polar Surface Area 104.06
Van der Waals Surface Area 640.34
Refractivity 118.34

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ELEMENTAL PROPERTIESExact Mass 430.236
Isotope Formula C25H34O6
Dot Disconnected Formula C25H34O6
Dot Disconnected Isotope Formula C25H34O6
Composition C (69.74%), H (7.96%), O (22.3%)
Isotope Composition C (69.74%), H (7.96%), O (22.3%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 31
Aliphatic Bond Count 34
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 68
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 7
Ring Atom Count 15
Ring Bond Count 18
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 4
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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