2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid
Formula:C18H18N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid is a drug-like molecule.
| MolName | 2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid |
| MolecularFormula | C18H18N2O4S |
| Smiles | OC(c(cc(cc1)NC(/C=C/c2cccs2)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H18N2O4S/c21-17(6-4-14-2-1-11-25-14)19-13-3-5-16(15(12-13)18(22)23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)(H,22,23) |
| InChIK | MLJFDQCKFJEWQS-UHFFFAOYSA-N |
| TotalMolweight | 358.417 |
| Molweight | 358.417 |
| MonoisotopicMass | 358.098728 |
| CLogP | 2.157 |
| CLogS | -3.624 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 270.61 |
| Relative PSA | 0.31244 |
| PolarSurfaceArea | 107.11 |
| Druglikeness | 2.5774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid | 2 - 2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid
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