(E)-3-[4-[[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
Formula:C31H23N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid is not a drug-like molecule.
| MolName | (E)-3-[4-[[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid |
| MolecularFormula | C31H23N3O6S |
| Smiles | OC(/C=C/c(cc1)ccc1S(NN(C1=O)C(c2ccccc2)=N/C1=C\c(cc1)ccc1Oc1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C31H23N3O6S/c35-29(36)20-15-22-13-18-27(19-14-22)41(38,39)33-34-30(24-7-3-1-4-8-24)32-28(31(34)37)21-23-11-16-26(17-12-23)40-25-9-5-2-6-10-25/h1-21,33H,(H,35,36) |
| InChIK | YEODBNDFGXJHBW-UHFFFAOYSA-N |
| TotalMolweight | 565.605 |
| Molweight | 565.605 |
| MonoisotopicMass | 565.130757 |
| CLogP | 3.0017 |
| CLogS | -5.842 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 415.41 |
| Relative PSA | 0.25103 |
| PolarSurfaceArea | 133.75 |
| Druglikeness | 5.2726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56098 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid | 2 - (E)-3-[4-[[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
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