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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.38
Van der Waals volume 421.49
Polar Surface Area 82.06
Van der Waals Surface Area 687.14
Refractivity 119.7

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ELEMENTAL PROPERTIESExact Mass 442.236
Isotope Formula C26H34O6
Dot Disconnected Formula C26H34O6
Dot Disconnected Isotope Formula C26H34O6
Composition C (70.56%), H (7.74%), O (21.69%)
Isotope Composition C (70.56%), H (7.74%), O (21.69%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 69
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 7
Ring Atom Count 17
Ring Bond Count 19
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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