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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.65
Van der Waals volume 141.31
Polar Surface Area 43.09
Van der Waals Surface Area 215.36
Refractivity 44.11

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ELEMENTAL PROPERTIESExact Mass 163.013
Isotope Formula C5H9NOS2
Dot Disconnected Formula C5H9NOS2
Dot Disconnected Isotope Formula C5H9NOS2
Composition C (36.78%), H (5.56%), N (8.58%), O (9.8%), S (39.28%)
Isotope Composition C (36.78%), H (5.56%), N (8.58%), O (9.8%), S (39.28%)
Donor Sites 2
Donor Count 1
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count18
Aliphatic Atom Count 9
Aliphatic Bond Count 8
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 17
Chain Atom Count 9
Chain Bond Count 8
Chiral Center Count 0
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.