(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
Formula:C26H19N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C26H19N4O4F |
| Smiles | [O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=C(\C(N3Cc(cc4)ccc4F)=O)/NC3=O)c2)cc1)=O |
| InChI | InChI=1S/C26H19FN4O4/c27-20-9-5-18(6-10-20)15-30-25(32)23(28-26(30)33)13-19-16-29(24-4-2-1-3-22(19)24)14-17-7-11-21(12-8-17)31(34)35/h1-13,16H,14-15H2,(H,28,33) |
| InChIK | ZXFKYJLIMZHWME-UHFFFAOYSA-N |
| TotalMolweight | 470.459 |
| Molweight | 470.459 |
| MonoisotopicMass | 470.139034 |
| CLogP | 3.2482 |
| CLogS | -5.449 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 342.59 |
| Relative PSA | 0.22879 |
| PolarSurfaceArea | 100.16 |
| Druglikeness | -1.3697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
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