[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Formula:C20H17N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
MolecularFormula	C20H17N2O3FS
Smiles	N#Cc1c(NC(COC(/C=C/c(cc2)ccc2F)=O)=O)sc2c1CCCC2
InChI	InChI=1S/C20H17FN2O3S/c21-14-8-5-13(6-9-14)7-10-19(25)26-12-18(24)23-20-16(11-22)15-3-1-2-4-17(15)27-20/h5-10H,1-4,12H2,(H,23,24)
InChIK	FYLMHBAPOAZAEV-UHFFFAOYSA-N
TotalMolweight	384.43
Molweight	384.43
MonoisotopicMass	384.094391
CLogP	3.8436
CLogS	-5.74
H Acceptors	5
H Donors	1
TotalSurfaceArea	295.78
Relative PSA	0.27541
PolarSurfaceArea	107.43
Druglikeness	-8.7221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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1 - [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate | 2 - [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

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