(2R)-1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Formula:C24H27N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.
| MolName | (2R)-1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol |
| MolecularFormula | C24H27N3O2 |
| Smiles | O[C@H](CN(CC1)CCN1c1ncccc1)COc(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C24H27N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h1-13,22,28H,14-19H2/t22-/m1/s1 |
| InChIK | LWUOYPKNHLJBKL-JOCHJYFZSA-N |
| TotalMolweight | 389.497 |
| Molweight | 389.497 |
| MonoisotopicMass | 389.210327 |
| CLogP | 3.3053 |
| CLogS | -4.158 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.05 |
| Relative PSA | 0.13279 |
| PolarSurfaceArea | 48.83 |
| Druglikeness | 6.7938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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