(2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Formula:C24H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.
| MolName | (2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol |
| MolecularFormula | C24H25N3O3 |
| Smiles | O[C@@H](CN(CC1)CCN1c1ncccc1)COc(cc1)cc2c1oc1c2cccc1 |
| InChI | InChI=1S/C24H25N3O3/c28-18(16-26-11-13-27(14-12-26)24-7-3-4-10-25-24)17-29-19-8-9-23-21(15-19)20-5-1-2-6-22(20)30-23/h1-10,15,18,28H,11-14,16-17H2/t18-/m0/s1 |
| InChIK | BPHRRBAOCLNPQP-SFHVURJKSA-N |
| TotalMolweight | 403.481 |
| Molweight | 403.481 |
| MonoisotopicMass | 403.189592 |
| CLogP | 3.4146 |
| CLogS | -4.732 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.18 |
| Relative PSA | 0.1788 |
| PolarSurfaceArea | 61.97 |
| Druglikeness | 6.7938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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