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C18H22N2O3S3 | Cheminformatics

(5Z)-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

Molecular Formula : C18H22N2O3S3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName : (5Z)-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

MolecularFormula : C18H22N2O3S3

Smiles : O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)N1CCOCC1

InChI : InChI=1S/C18H22N2O3S3/c21-16(19-8-10-23-11-9-19)6-2-1-3-7-20-17(22)15(26-18(20)24)13-14-5-4-12-25-14/h4-5,12-13H,1-3,6-11H2

InChIK : DRLNFFKVXNSCFI-UHFFFAOYSA-N

TotalMolweight : 410.582

Molweight : 410.582

MonoisotopicMass : 410.079253

CLogP : 2.4005

CLogS : -3.7

H Acceptors : 5

TotalSurfaceArea : 307.05

Relative PSA : 0.35509

PolarSurfaceArea : 135.48

Druglikeness : -3.6611

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 12

Symmetricatoms : 2

Amides : 2

StereoCon :

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