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

Formula:C25H17N4O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C25H17N4O4FS2
Smiles	O/C(/c1ccncc1)=C(\C(c(cc1)ccc1O)N(C1=O)c2nnc(SCc(cc3)ccc3F)s2)/C1=O
InChI	InChI=1S/C25H17FN4O4S2/c26-17-5-1-14(2-6-17)13-35-25-29-28-24(36-25)30-20(15-3-7-18(31)8-4-15)19(22(33)23(30)34)21(32)16-9-11-27-12-10-16/h1-12,20,31-32H,13H2/t20-/m1/s1
InChIK	IJBDXLYQCBMPGR-HXUWFJFHSA-N
TotalMolweight	520.564
Molweight	520.564
MonoisotopicMass	520.067524
CLogP	3.4876
CLogS	-5.424
H Acceptors	8
H Donors	2
TotalSurfaceArea	362.78
Relative PSA	0.34894
PolarSurfaceArea	170.05
Druglikeness	-0.083333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
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	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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

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