(5R)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione
Formula:C23H25N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5R)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (5R)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C23H25N2O4F |
| Smiles | Cc(cc(cc1)C(O)=C([C@@H](c(cc2)ccc2F)N(CCN(C)C)C2=O)C2=O)c1OC |
| InChI | InChI=1S/C23H25FN2O4/c1-14-13-16(7-10-18(14)30-4)21(27)19-20(15-5-8-17(24)9-6-15)26(12-11-25(2)3)23(29)22(19)28/h5-10,13,20,27H,11-12H2,1-4H3/t20-/m1/s1 |
| InChIK | AXBZPGMXCLMLJO-HXUWFJFHSA-N |
| TotalMolweight | 412.46 |
| Molweight | 412.46 |
| MonoisotopicMass | 412.179836 |
| CLogP | 2.0136 |
| CLogS | -2.247 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.3 |
| Relative PSA | 0.18137 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | 1.6125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (5R)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione | 2 - (5R)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione
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