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1-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-N-(4-fluorophenyl)cyclohexane-1-carboxamide

Formula:C23H25N2O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-N-(4-fluorophenyl)cyclohexane-1-carboxamide is a drug-like molecule.
MolName1-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
MolecularFormulaC23H25N2O2FS
SmilesO=C(C1(CCCCC1)N(C1CC1)C(/C=C/c1cccs1)=O)Nc(cc1)ccc1F
InChIInChI=1S/C23H25FN2O2S/c24-17-6-8-18(9-7-17)25-22(28)23(14-2-1-3-15-23)26(19-10-11-19)21(27)13-12-20-5-4-16-29-20/h4-9,12-13,16,19H,1-3,10-11,14-15H2,(H,25,28)
InChIKMZTBSXRCVFGXLQ-UHFFFAOYSA-N
TotalMolweight412.528
Molweight412.528
MonoisotopicMass412.162076
CLogP4.431
CLogS-5.374
H Acceptors4
H Donors1
TotalSurfaceArea311.3
Relative PSA0.1974
PolarSurfaceArea77.65
Druglikeness-1.1104
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.51724
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms9
Symmetricatoms5
Amides2
StereoCon

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