4-[[1-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid
Formula:C28H20N2O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[[1-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[1-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid |
| MolecularFormula | C28H20N2O5 |
| Smiles | OC(c1ccc(COc2c(/C=C(/C(N3c4ccccc4)=O)\NC3=O)c3ccccc3cc2)cc1)=O |
| InChI | InChI=1S/C28H20N2O5/c31-26-24(29-28(34)30(26)21-7-2-1-3-8-21)16-23-22-9-5-4-6-19(22)14-15-25(23)35-17-18-10-12-20(13-11-18)27(32)33/h1-16H,17H2,(H,29,34)(H,32,33) |
| InChIK | FJWFKZSMLBSIAT-UHFFFAOYSA-N |
| TotalMolweight | 464.476 |
| Molweight | 464.476 |
| MonoisotopicMass | 464.137223 |
| CLogP | 4.644 |
| CLogS | -7.179 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 343.71 |
| Relative PSA | 0.2247 |
| PolarSurfaceArea | 95.94 |
| Druglikeness | 3.5324 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[1-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid | 2 - 4-[[1-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid
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