[(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate

Formula:C23H21N2O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate is a drug-like molecule.

MolName	[(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate
MolecularFormula	C23H21N2O5FS
Smiles	N#C/C(/C(COC(CCC(c1cccs1)=O)=O)=O)=C(/c(cc1)ccc1F)\N1CCOCC1
InChI	InChI=1S/C23H21FN2O5S/c24-17-5-3-16(4-6-17)23(26-9-11-30-12-10-26)18(14-25)20(28)15-31-22(29)8-7-19(27)21-2-1-13-32-21/h1-6,13H,7-12,15H2
InChIK	BOHBXZMERYTILV-UHFFFAOYSA-N
TotalMolweight	456.493
Molweight	456.493
MonoisotopicMass	456.115521
CLogP	2.4754
CLogS	-4.031
H Acceptors	7
TotalSurfaceArea	346.31
Relative PSA	0.27891
PolarSurfaceArea	124.94
Druglikeness	-2.7705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	4
StereoCon

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1 - [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate | 2 - [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate

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