2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
Formula:C24H31N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is a drug-like molecule.
| MolName | 2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide |
| MolecularFormula | C24H31N4O2F |
| Smiles | Cn1c(CN(C2CC2)C(CN(C2CCCCC2)C(Nc2cccc(F)c2)=O)=O)ccc1 |
| InChI | InChI=1S/C24H31FN4O2/c1-27-14-6-11-22(27)16-28(21-12-13-21)23(30)17-29(20-9-3-2-4-10-20)24(31)26-19-8-5-7-18(25)15-19/h5-8,11,14-15,20-21H,2-4,9-10,12-13,16-17H2,1H3,(H,26,31) |
| InChIK | VUQIKJDXKYFVRT-UHFFFAOYSA-N |
| TotalMolweight | 426.534 |
| Molweight | 426.534 |
| MonoisotopicMass | 426.243104 |
| CLogP | 3.2226 |
| CLogS | -3.866 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.23 |
| Relative PSA | 0.15598 |
| PolarSurfaceArea | 57.58 |
| Druglikeness | -0.95596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 3 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide | 2 - 2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
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