(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
Formula:C22H21NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one |
| MolecularFormula | C22H21NO3S |
| Smiles | C#Cc1cccc(OCC(C2)OCCN2C(/C=C/Sc2ccccc2)=O)c1 |
| InChI | InChI=1S/C22H21NO3S/c1-2-18-7-6-8-19(15-18)26-17-20-16-23(12-13-25-20)22(24)11-14-27-21-9-4-3-5-10-21/h1,3-11,14-15,20H,12-13,16-17H2/t20-/m1/s1 |
| InChIK | DPCRSLPXKYODJP-HXUWFJFHSA-N |
| TotalMolweight | 379.479 |
| Molweight | 379.479 |
| MonoisotopicMass | 379.124214 |
| CLogP | 3.1542 |
| CLogS | -2.845 |
| H Acceptors | 4 |
| TotalSurfaceArea | 302.91 |
| Relative PSA | 0.17853 |
| PolarSurfaceArea | 64.07 |
| Druglikeness | 3.1862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one | 2 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
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