[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

Formula:C17H18N3O6FS Mutagenic:none Tumorigenic:none Reproductive Effective:high [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is a drug-like molecule.

MolName	[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
MolecularFormula	C17H18N3O6FS
Smiles	C=C([C@@H](C(COC(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1F)=O)=O)C#N)N
InChI	InChI=1S/C17H18FN3O6S/c1-11(20)13(9-19)15(22)10-27-17(23)12-2-3-14(18)16(8-12)28(24,25)21-4-6-26-7-5-21/h2-3,8,13H,1,4-7,10,20H2/t13-/m0/s1
InChIK	HBLNUQHHRRGMRT-ZDUSSCGKSA-N
TotalMolweight	411.409
Molweight	411.409
MonoisotopicMass	411.090035
CLogP	0.1466
CLogS	-2.293
H Acceptors	9
H Donors	1
TotalSurfaceArea	294.77
Relative PSA	0.36313
PolarSurfaceArea	148.17
Druglikeness	-5.8414
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	3
Amides	1
BasicNitrogens	1
StereoCon	this enantiomer

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