3-[[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one
Formula:C30H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one is a drug-like molecule.
| MolName | 3-[[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one |
| MolecularFormula | C30H20N4O3 |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2cc(Oc3ccccc3)ccc2)N1NC1=C(C=CC=C2)C2=NC1=O |
| InChI | InChI=1S/C30H20N4O3/c35-29-27(24-16-7-8-17-25(24)32-29)33-34-28(21-11-3-1-4-12-21)31-26(30(34)36)19-20-10-9-15-23(18-20)37-22-13-5-2-6-14-22/h1-19H,(H,32,33,35) |
| InChIK | JNQKRMTWNAEYSS-UHFFFAOYSA-N |
| TotalMolweight | 484.514 |
| Molweight | 484.514 |
| MonoisotopicMass | 484.153541 |
| CLogP | 2.7423 |
| CLogS | -6.962 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 366.11 |
| Relative PSA | 0.20243 |
| PolarSurfaceArea | 83.36 |
| Druglikeness | 4.1007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-[[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one | 2 - 3-[[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one
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