2-[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
Formula:C21H16N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid |
| MolecularFormula | C21H16N3O4F |
| Smiles | OC(Cn1c(cccc2)c2c(/C=C(\C(N2Cc(cc3)ccc3F)=O)/NC2=O)c1)=O |
| InChI | InChI=1S/C21H16FN3O4/c22-15-7-5-13(6-8-15)10-25-20(28)17(23-21(25)29)9-14-11-24(12-19(26)27)18-4-2-1-3-16(14)18/h1-9,11H,10,12H2,(H,23,29)(H,26,27) |
| InChIK | DBMSDVRICLWZII-UHFFFAOYSA-N |
| TotalMolweight | 393.373 |
| Molweight | 393.373 |
| MonoisotopicMass | 393.112485 |
| CLogP | 1.792 |
| CLogS | -3.679 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 283.26 |
| Relative PSA | 0.2616 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -2.0351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid | 2 - 2-[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
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