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

Formula:C25H15N4O3Cl3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C25H15N4O3Cl3S2
Smiles	O/C(/c1ccncc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(C1=O)c2nnc(SCc(cccc3)c3Cl)s2)/C1=O
InChI	InChI=1S/C25H15Cl3N4O3S2/c26-16-4-2-1-3-15(16)12-36-25-31-30-24(37-25)32-20(14-5-6-17(27)18(28)11-14)19(22(34)23(32)35)21(33)13-7-9-29-10-8-13/h1-11,20,33H,12H2/t20-/m1/s1
InChIK	AEXUVMHLWAMRSE-HXUWFJFHSA-N
TotalMolweight	589.91
Molweight	589.91
MonoisotopicMass	587.965112
CLogP	5.5505
CLogS	-7.614
H Acceptors	7
H Donors	1
TotalSurfaceArea	396.34
Relative PSA	0.28635
PolarSurfaceArea	149.82
Druglikeness	1.2975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.45946
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	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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

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