NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.02
Van der Waals volume 144.5
Polar Surface Area 61.58
Van der Waals Surface Area 220.81
Refractivity 44.93

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ELEMENTAL PROPERTIESExact Mass 162.017
Isotope Formula C6H10OS2
Dot Disconnected Formula C6H10OS2
Dot Disconnected Isotope Formula C6H10OS2
Composition C (44.41%), H (6.21%), O (9.86%), S (39.52%)
Isotope Composition C (44.41%), H (6.21%), O (9.86%), S (39.52%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count19
Aliphatic Atom Count 9
Aliphatic Bond Count 8
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 18
Chain Atom Count 9
Chain Bond Count 8
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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