(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C29H29N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C29H29N3O5 |
| Smiles | O/C(/c1ccncc1)=C(\C(c1cc(OCc2ccccc2)ccc1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C29H29N3O5/c33-27(22-9-11-30-12-10-22)25-26(32(29(35)28(25)34)14-13-31-15-17-36-18-16-31)23-7-4-8-24(19-23)37-20-21-5-2-1-3-6-21/h1-12,19,26,33H,13-18,20H2/t26-/m0/s1 |
| InChIK | QDYBYIPFZASFQG-SANMLTNESA-N |
| TotalMolweight | 499.565 |
| Molweight | 499.565 |
| MonoisotopicMass | 499.210722 |
| CLogP | 1.9551 |
| CLogS | -2.184 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 378.73 |
| Relative PSA | 0.20397 |
| PolarSurfaceArea | 92.2 |
| Druglikeness | 0.77144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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