(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Formula:C24H20N3O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
MolecularFormula	C24H20N3O2FS
Smiles	O=C1N=C(N(CC2)CCN2c2ccccc2)S/C1=C/c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C24H20FN3O2S/c25-18-8-6-17(7-9-18)21-11-10-20(30-21)16-22-23(29)26-24(31-22)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,16H,12-15H2
InChIK	OFXXRZQGQNDYMI-UHFFFAOYSA-N
TotalMolweight	433.506
Molweight	433.506
MonoisotopicMass	433.126025
CLogP	4.2293
CLogS	-6.031
H Acceptors	5
TotalSurfaceArea	320.38
Relative PSA	0.19742
PolarSurfaceArea	74.35
Druglikeness	5.6191
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	6
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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