2-[2-[(E)-(3-anilino-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid

Formula:C18H14N2O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:low 2-[2-[(E)-(3-anilino-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(E)-(3-anilino-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
MolecularFormula	C18H14N2O4S2
Smiles	OC(COc1c(/C=C(\C(N2Nc3ccccc3)=O)/SC2=S)cccc1)=O
InChI	InChI=1S/C18H14N2O4S2/c21-16(22)11-24-14-9-5-4-6-12(14)10-15-17(23)20(18(25)26-15)19-13-7-2-1-3-8-13/h1-10,19H,11H2,(H,21,22)
InChIK	JXQMSLSJVBRCMM-UHFFFAOYSA-N
TotalMolweight	386.451
Molweight	386.451
MonoisotopicMass	386.039498
CLogP	2.1705
CLogS	-3.905
H Acceptors	6
H Donors	2
TotalSurfaceArea	281.8
Relative PSA	0.38921
PolarSurfaceArea	136.26
Druglikeness	3.5596
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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