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

Formula:C25H16N4O4Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C25H16N4O4Cl2S2
Smiles	O/C(/c1ccncc1)=C(\C(c1cc(O)ccc1)N(C1=O)c2nnc(SCc(ccc(Cl)c3)c3Cl)s2)/C1=O
InChI	InChI=1S/C25H16Cl2N4O4S2/c26-16-5-4-15(18(27)11-16)12-36-25-30-29-24(37-25)31-20(14-2-1-3-17(32)10-14)19(22(34)23(31)35)21(33)13-6-8-28-9-7-13/h1-11,20,32-33H,12H2/t20-/m1/s1
InChIK	KGZDIZGMVKSOCD-HXUWFJFHSA-N
TotalMolweight	571.464
Molweight	571.464
MonoisotopicMass	569.999
CLogP	4.5988
CLogS	-6.582
H Acceptors	8
H Donors	2
TotalSurfaceArea	387.27
Relative PSA	0.32688
PolarSurfaceArea	170.05
Druglikeness	1.2975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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

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