(2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Formula:C23H20N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is a drug-like molecule.

MolName	(2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
MolecularFormula	C23H20N3O3FS
Smiles	N#C/C(/C(N1CCOCC1)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2F)C1=O
InChI	InChI=1S/C23H20FN3O3S/c24-17-8-6-16(7-9-17)14-20-22(29)27(18-4-2-1-3-5-18)23(31-20)19(15-25)21(28)26-10-12-30-13-11-26/h1-9,20H,10-14H2/t20-/m0/s1
InChIK	MFMIZLNNCNMVPN-FQEVSTJZSA-N
TotalMolweight	437.494
Molweight	437.494
MonoisotopicMass	437.12094
CLogP	3.3427
CLogS	-4.326
H Acceptors	6
TotalSurfaceArea	321.89
Relative PSA	0.23061
PolarSurfaceArea	98.94
Druglikeness	-0.16184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	2
StereoCon	racemate

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1 - (2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile | 2 - (2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

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