2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
Formula:C19H20N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid is a drug-like molecule.
| MolName | 2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid |
| MolecularFormula | C19H20N2O6S |
| Smiles | Cc(ccc(C(Nc(cccc1)c1C(O)=O)=O)c1)c1S(N1CCOCC1)(=O)=O |
| InChI | InChI=1S/C19H20N2O6S/c1-13-6-7-14(12-17(13)28(25,26)21-8-10-27-11-9-21)18(22)20-16-5-3-2-4-15(16)19(23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24) |
| InChIK | NDDQFSUDDIBYFQ-UHFFFAOYSA-N |
| TotalMolweight | 404.442 |
| Molweight | 404.442 |
| MonoisotopicMass | 404.104208 |
| CLogP | 1.6789 |
| CLogS | -2.691 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 289.01 |
| Relative PSA | 0.32099 |
| PolarSurfaceArea | 121.39 |
| Druglikeness | 1.8025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid | 2 - 2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
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