(2R)-1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Formula:C25H29N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.
| MolName | (2R)-1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol |
| MolecularFormula | C25H29N3O2 |
| Smiles | O[C@H](CN(CC1)CCN1c1ncccc1)COC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H29N3O2/c29-23(19-27-15-17-28(18-16-27)24-13-7-8-14-26-24)20-30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25,29H,15-20H2/t23-/m1/s1 |
| InChIK | IEGXBGGRCBAVOS-HSZRJFAPSA-N |
| TotalMolweight | 403.524 |
| Molweight | 403.524 |
| MonoisotopicMass | 403.225977 |
| CLogP | 3.2625 |
| CLogS | -3.326 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.55 |
| Relative PSA | 0.12764 |
| PolarSurfaceArea | 48.83 |
| Druglikeness | 6.8206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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