2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid

Formula:C21H16N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid is a drug-like molecule.

MolName	2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid
MolecularFormula	C21H16N2O4S2
Smiles	OC(CN(c(cccc1)c1/C1=C(\C(N2CCc3ccccc3)=O)/SC2=S)C1=O)=O
InChI	InChI=1S/C21H16N2O4S2/c24-16(25)12-23-15-9-5-4-8-14(15)17(19(23)26)18-20(27)22(21(28)29-18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,25)
InChIK	MULZFEMFKDVDGN-UHFFFAOYSA-N
TotalMolweight	424.5
Molweight	424.5
MonoisotopicMass	424.055148
CLogP	1.1327
CLogS	-3.941
H Acceptors	6
H Donors	1
TotalSurfaceArea	300.62
Relative PSA	0.34865
PolarSurfaceArea	135.31
Druglikeness	-1.0073
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid | 2 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid

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