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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.49
Van der Waals volume 402.63
Polar Surface Area 89.9
Van der Waals Surface Area 650.95
Refractivity 109.39

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ELEMENTAL PROPERTIESExact Mass 418.236
Isotope Formula C24H34O6
Dot Disconnected Formula C24H34O6
Dot Disconnected Isotope Formula C24H34O6
Composition C (68.87%), H (8.19%), O (22.94%)
Isotope Composition C (68.87%), H (8.19%), O (22.94%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 30
Aliphatic Bond Count 33
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 67
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 8
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 4
Stereo Double Bond Count 0
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 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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