(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
Formula:C16H17N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one |
| MolecularFormula | C16H17N4O3Cl |
| Smiles | O=C(/C=C/c1cnc[nH]1)N1CC(COc2cccnc2Cl)OCC1 |
| InChI | InChI=1S/C16H17ClN4O3/c17-16-14(2-1-5-19-16)24-10-13-9-21(6-7-23-13)15(22)4-3-12-8-18-11-20-12/h1-5,8,11,13H,6-7,9-10H2,(H,18,20)/t13-/m1/s1 |
| InChIK | LVGLGMVIRXIQJO-CYBMUJFWSA-N |
| TotalMolweight | 348.789 |
| Molweight | 348.789 |
| MonoisotopicMass | 348.098918 |
| CLogP | 0.9232 |
| CLogS | -1.567 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 264.12 |
| Relative PSA | 0.27457 |
| PolarSurfaceArea | 80.34 |
| Druglikeness | 3.8968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one | 2 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
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