(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Formula:C31H20N2O4ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
MolecularFormula	C31H20N2O4ClFS
Smiles	O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1OCc1ccccc1)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O
InChI	InChI=1S/C31H20ClFN2O4S/c32-21-10-6-20(7-11-21)28(36)26-27(19-8-13-23(14-9-19)39-17-18-4-2-1-3-5-18)35(30(38)29(26)37)31-34-24-15-12-22(33)16-25(24)40-31/h1-16,27,36H,17H2/t27-/m1/s1
InChIK	XLOKHJOTHWFANE-HHHXNRCGSA-N
TotalMolweight	571.027
Molweight	571.027
MonoisotopicMass	570.081633
CLogP	6.2916
CLogS	-7.351
H Acceptors	6
H Donors	1
TotalSurfaceArea	401.44
Relative PSA	0.2094
PolarSurfaceArea	107.97
Druglikeness	-1.6433
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.45
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

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