(5Z)-3-[(2-fluorophenyl)methyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione
Formula:C22H16N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(2-fluorophenyl)methyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C22H16N3O2F |
| Smiles | C#CCn1c(cccc2)c2c(/C=C(/C(N2Cc(cccc3)c3F)=O)\NC2=O)c1 |
| InChI | InChI=1S/C22H16FN3O2/c1-2-11-25-13-16(17-8-4-6-10-20(17)25)12-19-21(27)26(22(28)24-19)14-15-7-3-5-9-18(15)23/h1,3-10,12-13H,11,14H2,(H,24,28) |
| InChIK | AQGDRDJVBOFVAW-UHFFFAOYSA-N |
| TotalMolweight | 373.386 |
| Molweight | 373.386 |
| MonoisotopicMass | 373.122655 |
| CLogP | 2.6892 |
| CLogS | -4.528 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.97 |
| Relative PSA | 0.16949 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.7152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-[(2-fluorophenyl)methyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(2-fluorophenyl)methyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione
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