(4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

Formula:C26H19N4O4FS2 Mutagenic:none Tumorigenic:low Reproductive Effective:low (4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
MolecularFormula	C26H19N4O4FS2
Smiles	COc1ccc(C(/C(/C(C2=O)=O)=C(/c3ccncc3)\O)N2c2nnc(SCc(cccc3)c3F)s2)cc1
InChI	InChI=1S/C26H19FN4O4S2/c1-35-18-8-6-15(7-9-18)21-20(22(32)16-10-12-28-13-11-16)23(33)24(34)31(21)25-29-30-26(37-25)36-14-17-4-2-3-5-19(17)27/h2-13,21,32H,14H2,1H3/t21-/m1/s1
InChIK	FAGVWPRPKGEINE-OAQYLSRUSA-N
TotalMolweight	534.591
Molweight	534.591
MonoisotopicMass	534.083174
CLogP	3.7633
CLogS	-5.738
H Acceptors	8
H Donors	1
TotalSurfaceArea	378.69
Relative PSA	0.3261
PolarSurfaceArea	159.05
Druglikeness	-0.07458
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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1 - (4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

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