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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.75
Van der Waals volume 415.27
Polar Surface Area 54.37
Van der Waals Surface Area 651.8
Refractivity 124.01

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ELEMENTAL PROPERTIESExact Mass 426.223
Isotope Formula C26H34O3S
Dot Disconnected Formula C26H34O3S
Dot Disconnected Isotope Formula C26H34O3S
Composition C (73.2%), H (8.03%), O (11.25%), S (7.52%)
Isotope Composition C (73.2%), H (8.03%), O (11.25%), S (7.52%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 24
Aliphatic Bond Count 27
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 67
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 24
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 10
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.