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

Formula:C25H16N4O3F2S2 Mutagenic:none Tumorigenic:low Reproductive Effective:low (4E)-5-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C25H16N4O3F2S2
Smiles	O/C(/c1ccncc1)=C(\C(c(cccc1)c1F)N(C1=O)c2nnc(SCc(cccc3)c3F)s2)/C1=O
InChI	InChI=1S/C25H16F2N4O3S2/c26-17-7-3-1-5-15(17)13-35-25-30-29-24(36-25)31-20(16-6-2-4-8-18(16)27)19(22(33)23(31)34)21(32)14-9-11-28-12-10-14/h1-12,20,32H,13H2/t20-/m1/s1
InChIK	VNZGQMVWZPXFDT-HXUWFJFHSA-N
TotalMolweight	522.555
Molweight	522.555
MonoisotopicMass	522.063187
CLogP	3.9341
CLogS	-6.034
H Acceptors	7
H Donors	1
TotalSurfaceArea	362.78
Relative PSA	0.31283
PolarSurfaceArea	149.82
Druglikeness	-0.083333
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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

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