(2R)-1-(fluoren-9-ylideneamino)oxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Formula:C25H26N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2R)-1-(fluoren-9-ylideneamino)oxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.
| MolName | (2R)-1-(fluoren-9-ylideneamino)oxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol |
| MolecularFormula | C25H26N4O2 |
| Smiles | O[C@H](CN(CC1)CCN1c1ncccc1)CON=C1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C25H26N4O2/c30-19(17-28-13-15-29(16-14-28)24-11-5-6-12-26-24)18-31-27-25-22-9-3-1-7-20(22)21-8-2-4-10-23(21)25/h1-12,19,30H,13-18H2/t19-/m1/s1 |
| InChIK | CAGBFKSQJXQGCC-LJQANCHMSA-N |
| TotalMolweight | 414.507 |
| Molweight | 414.507 |
| MonoisotopicMass | 414.205576 |
| CLogP | 4.0571 |
| CLogS | -5.533 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.52 |
| Relative PSA | 0.16487 |
| PolarSurfaceArea | 61.19 |
| Druglikeness | 7.8911 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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