[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate

Formula:C23H22N3O7F3S Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate is not a drug-like molecule.

MolName	[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate
MolecularFormula	C23H22N3O7F3S
Smiles	O=C(COC(c(cccc1)c1N/C=C/C(C(F)(F)F)=O)=O)Nc(cc1)ccc1S(N1CCOCC1)(=O)=O
InChI	InChI=1S/C23H22F3N3O7S/c24-23(25,26)20(30)9-10-27-19-4-2-1-3-18(19)22(32)36-15-21(31)28-16-5-7-17(8-6-16)37(33,34)29-11-13-35-14-12-29/h1-10,27H,11-15H2,(H,28,31)
InChIK	IRNRGGIEDUWICJ-UHFFFAOYSA-N
TotalMolweight	541.502
Molweight	541.502
MonoisotopicMass	541.113056
CLogP	1.5548
CLogS	-3.753
H Acceptors	10
H Donors	2
TotalSurfaceArea	379.33
Relative PSA	0.30098
PolarSurfaceArea	139.49
Druglikeness	-26.59
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	7
Amides	2
StereoCon

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1 - [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate | 2 - [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate

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