3-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzoic acid
Formula:C26H18N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzoic acid |
| MolecularFormula | C26H18N3O4Cl |
| Smiles | OC(c1cccc(Cn2c(cccc3)c3c(/C=C(\C(N3c(cc4)ccc4Cl)=O)/NC3=O)c2)c1)=O |
| InChI | InChI=1S/C26H18ClN3O4/c27-19-8-10-20(11-9-19)30-24(31)22(28-26(30)34)13-18-15-29(23-7-2-1-6-21(18)23)14-16-4-3-5-17(12-16)25(32)33/h1-13,15H,14H2,(H,28,34)(H,32,33) |
| InChIK | QTCNHZQLJYOVEN-UHFFFAOYSA-N |
| TotalMolweight | 471.899 |
| Molweight | 471.899 |
| MonoisotopicMass | 471.098584 |
| CLogP | 4.2372 |
| CLogS | -5.946 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 338.33 |
| Relative PSA | 0.21902 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | 4.794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzoic acid | 2 - 3-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzoic acid
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