(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
Formula:C24H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one |
| MolecularFormula | C24H22N2O3 |
| Smiles | C#Cc1cccc(OCC(C2)OCCN2C(/C=C/c2c[nH]c3c2cccc3)=O)c1 |
| InChI | InChI=1S/C24H22N2O3/c1-2-18-6-5-7-20(14-18)29-17-21-16-26(12-13-28-21)24(27)11-10-19-15-25-23-9-4-3-8-22(19)23/h1,3-11,14-15,21,25H,12-13,16-17H2/t21-/m1/s1 |
| InChIK | HUDMQFLBKJNPLZ-OAQYLSRUSA-N |
| TotalMolweight | 386.45 |
| Molweight | 386.45 |
| MonoisotopicMass | 386.163043 |
| CLogP | 3.1471 |
| CLogS | -2.982 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.59 |
| Relative PSA | 0.16338 |
| PolarSurfaceArea | 54.56 |
| Druglikeness | 3.2954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one | 2 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
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