[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate

Formula:C25H22N2O5ClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate is not a drug-like molecule.

MolName	[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
MolecularFormula	C25H22N2O5ClFS2
Smiles	O=C(COC(/C(/c1cccs1)=C/c(cc1)ccc1F)=O)Nc(cc(cc1)S(N2CCCC2)(=O)=O)c1Cl
InChI	InChI=1S/C25H22ClFN2O5S2/c26-21-10-9-19(36(32,33)29-11-1-2-12-29)15-22(21)28-24(30)16-34-25(31)20(23-4-3-13-35-23)14-17-5-7-18(27)8-6-17/h3-10,13-15H,1-2,11-12,16H2,(H,28,30)
InChIK	BIIICPLRLDZNFK-UHFFFAOYSA-N
TotalMolweight	549.042
Molweight	549.042
MonoisotopicMass	548.064268
CLogP	4.4692
CLogS	-5.243
H Acceptors	7
H Donors	1
TotalSurfaceArea	386.34
Relative PSA	0.25892
PolarSurfaceArea	129.4
Druglikeness	5.6273
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	5
Amides	2
StereoCon

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1 - [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate | 2 - [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate

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