(4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Formula:C29H19N4O3BrS2 Mutagenic:low Tumorigenic:high Reproductive Effective:low (4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
MolecularFormula	C29H19N4O3BrS2
Smiles	O/C(/c1ccncc1)=C(\C(c1cccc(Br)c1)N(C1=O)c2nnc(SCc3cccc4ccccc34)s2)/C1=O
InChI	InChI=1S/C29H19BrN4O3S2/c30-21-9-4-7-19(15-21)24-23(25(35)18-11-13-31-14-12-18)26(36)27(37)34(24)28-32-33-29(39-28)38-16-20-8-3-6-17-5-1-2-10-22(17)20/h1-15,24,35H,16H2/t24-/m1/s1
InChIK	XFEMIIUSLLYMPQ-XMMPIXPASA-N
TotalMolweight	615.531
Molweight	615.531
MonoisotopicMass	614.008192
CLogP	5.6521
CLogS	-7.846
H Acceptors	7
H Donors	1
TotalSurfaceArea	403.31
Relative PSA	0.2814
PolarSurfaceArea	149.82
Druglikeness	-0.53333
Mutagenic	low
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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

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