3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)propanamide

Formula:C19H16N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)propanamide is a drug-like molecule.

MolName3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)propanamide
MolecularFormulaC19H16N2O3S2
SmilesOc1cccc(NC(CCN(C(/C(/S2)=C/c3ccccc3)=O)C2=S)=O)c1
InChIInChI=1S/C19H16N2O3S2/c22-15-8-4-7-14(12-15)20-17(23)9-10-21-18(24)16(26-19(21)25)11-13-5-2-1-3-6-13/h1-8,11-12,22H,9-10H2,(H,20,23)
InChIKORKYHLMEAPLQSG-UHFFFAOYSA-N
TotalMolweight384.479
Molweight384.479
MonoisotopicMass384.060233
CLogP2.2982
CLogS-4.386
H Acceptors5
H Donors2
TotalSurfaceArea285.56
Relative PSA0.34907
PolarSurfaceArea127.03
Druglikeness4.882
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms2
Amides2
StereoCon

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