[(E)-[amino-(4-morpholin-4-ylsulfonylphenyl)methylidene]amino] benzoate
Formula:C18H19N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(4-morpholin-4-ylsulfonylphenyl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-morpholin-4-ylsulfonylphenyl)methylidene]amino] benzoate |
| MolecularFormula | C18H19N3O5S |
| Smiles | N/C(/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C18H19N3O5S/c19-17(20-26-18(22)15-4-2-1-3-5-15)14-6-8-16(9-7-14)27(23,24)21-10-12-25-13-11-21/h1-9H,10-13H2,(H2,19,20) |
| InChIK | BPLSUJAFTKXDQG-UHFFFAOYSA-N |
| TotalMolweight | 389.431 |
| Molweight | 389.431 |
| MonoisotopicMass | 389.104542 |
| CLogP | 2.1149 |
| CLogS | -2.742 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 282.68 |
| Relative PSA | 0.32528 |
| PolarSurfaceArea | 119.67 |
| Druglikeness | 0.05406 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-morpholin-4-ylsulfonylphenyl)methylidene]amino] benzoate | 2 - [(E)-[amino-(4-morpholin-4-ylsulfonylphenyl)methylidene]amino] benzoate
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