(E)-N-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide

Formula:C20H14N3OFS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName(E)-N-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
MolecularFormulaC20H14N3OFS
SmilesO=C(/C(/c(cc1)ccc1F)=C/c1cccs1)Nc1nc(cccc2)c2[nH]1
InChIInChI=1S/C20H14FN3OS/c21-14-9-7-13(8-10-14)16(12-15-4-3-11-26-15)19(25)24-20-22-17-5-1-2-6-18(17)23-20/h1-12H,(H2,22,23,24,25)
InChIKMAMKNQYXTLBRTH-UHFFFAOYSA-N
TotalMolweight363.415
Molweight363.415
MonoisotopicMass363.08416
CLogP4.4096
CLogS-5.261
H Acceptors4
H Donors2
TotalSurfaceArea271.92
Relative PSA0.25677
PolarSurfaceArea86.02
Druglikeness3.598
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Symmetricatoms2
Amides1
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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