4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one
Formula:C25H27N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one |
| MolecularFormula | C25H27N3O4 |
| Smiles | OC(C(N(CCCN1CCOCC1)C1c2cnccc2)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C25H27N3O4/c29-21(10-9-19-6-2-1-3-7-19)22-23(20-8-4-11-26-18-20)28(25(31)24(22)30)13-5-12-27-14-16-32-17-15-27/h1-4,6-11,18,23,30H,5,12-17H2/t23-/m0/s1 |
| InChIK | SAYVUDUVZUBFES-QHCPKHFHSA-N |
| TotalMolweight | 433.506 |
| Molweight | 433.506 |
| MonoisotopicMass | 433.200157 |
| CLogP | 1.5671 |
| CLogS | -1.823 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.47 |
| Relative PSA | 0.20047 |
| PolarSurfaceArea | 82.97 |
| Druglikeness | 4.8339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one | 2 - 4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off