(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
Formula:C17H23N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is a drug-like molecule.
| MolName | (2R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol |
| MolecularFormula | C17H23N3O2S |
| Smiles | O[C@H](CN(CC1)CCN1c1ncccc1)COCc1cccs1 |
| InChI | InChI=1S/C17H23N3O2S/c21-15(13-22-14-16-4-3-11-23-16)12-19-7-9-20(10-8-19)17-5-1-2-6-18-17/h1-6,11,15,21H,7-10,12-14H2/t15-/m1/s1 |
| InChIK | RKSBSTHWXUXRAW-OAHLLOKOSA-N |
| TotalMolweight | 333.455 |
| Molweight | 333.455 |
| MonoisotopicMass | 333.151097 |
| CLogP | 1.4133 |
| CLogS | -2.076 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.99 |
| Relative PSA | 0.23666 |
| PolarSurfaceArea | 77.07 |
| Druglikeness | 6.5094 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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