1-(4-fluorophenyl)-3-[(1R,5S)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
Formula:C22H25N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-fluorophenyl)-3-[(1R,5S)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea is a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-3-[(1R,5S)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea |
| MolecularFormula | C22H25N3OF2 |
| Smiles | O=C(NC1C[C@H](CCC2)N(Cc(cc3)ccc3F)[C@H]2C1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C22H25F2N3O/c23-16-6-4-15(5-7-16)14-27-20-2-1-3-21(27)13-19(12-20)26-22(28)25-18-10-8-17(24)9-11-18/h4-11,19-21H,1-3,12-14H2,(H2,25,26,28)/t19?,20-,21+ |
| InChIK | LORWTYLDWLFQRZ-SEJPIABJSA-N |
| TotalMolweight | 385.457 |
| Molweight | 385.457 |
| MonoisotopicMass | 385.196568 |
| CLogP | 3.9113 |
| CLogS | -5.387 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 289.75 |
| Relative PSA | 0.13636 |
| PolarSurfaceArea | 44.37 |
| Druglikeness | -1.0055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-(4-fluorophenyl)-3-[(1R,5S)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea | 2 - 1-(4-fluorophenyl)-3-[(1R,5S)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
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