(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
Formula:C21H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C21H20N2O3 |
| Smiles | C#Cc1cccc(OCC(C2)OCCN2C(/C=C/c2ncccc2)=O)c1 |
| InChI | InChI=1S/C21H20N2O3/c1-2-17-6-5-8-19(14-17)26-16-20-15-23(12-13-25-20)21(24)10-9-18-7-3-4-11-22-18/h1,3-11,14,20H,12-13,15-16H2/t20-/m1/s1 |
| InChIK | PBITVTZNRFSMPH-HXUWFJFHSA-N |
| TotalMolweight | 348.401 |
| Molweight | 348.401 |
| MonoisotopicMass | 348.147393 |
| CLogP | 2.1608 |
| CLogS | -1.686 |
| H Acceptors | 5 |
| TotalSurfaceArea | 284.18 |
| Relative PSA | 0.16736 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | 3.0503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one | 2 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
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