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

Formula:C26H20N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(E)-[3-[(2,2-diphenylacetyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[2-[(E)-[3-[(2,2-diphenylacetyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C26H20N2O5S2
Smiles	OC(COc1c(/C=C(\C(N2NC(C(c3ccccc3)c3ccccc3)=O)=O)/SC2=S)cccc1)=O
InChI	InChI=1S/C26H20N2O5S2/c29-22(30)16-33-20-14-8-7-13-19(20)15-21-25(32)28(26(34)35-21)27-24(31)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,23H,16H2,(H,27,31)(H,29,30)
InChIK	KWKBKZWYRHHOSC-UHFFFAOYSA-N
TotalMolweight	504.586
Molweight	504.586
MonoisotopicMass	504.081363
CLogP	2.0569
CLogS	-5.591
H Acceptors	7
H Donors	2
TotalSurfaceArea	371.81
Relative PSA	0.33006
PolarSurfaceArea	153.33
Druglikeness	4.7923
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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

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