(2S)-1-naphthalen-1-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Formula:C22H25N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2S)-1-naphthalen-1-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.
| MolName | (2S)-1-naphthalen-1-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol |
| MolecularFormula | C22H25N3O2 |
| Smiles | O[C@@H](CN(CC1)CCN1c1ncccc1)COc1cccc2ccccc12 |
| InChI | InChI=1S/C22H25N3O2/c26-19(17-27-21-9-5-7-18-6-1-2-8-20(18)21)16-24-12-14-25(15-13-24)22-10-3-4-11-23-22/h1-11,19,26H,12-17H2/t19-/m0/s1 |
| InChIK | LNAXHPAJNIBAPY-IBGZPJMESA-N |
| TotalMolweight | 363.46 |
| Molweight | 363.46 |
| MonoisotopicMass | 363.194677 |
| CLogP | 2.8405 |
| CLogS | -3.678 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.89 |
| Relative PSA | 0.14451 |
| PolarSurfaceArea | 48.83 |
| Druglikeness | 6.7938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S)-1-naphthalen-1-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol | 2 - (2S)-1-naphthalen-1-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off