(5E)-3-(3-chlorophenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
Formula:C25H17N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C25H17N3O2Cl2 |
| Smiles | O=C(/C(/NC1=O)=C\c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C25H17Cl2N3O2/c26-18-10-8-16(9-11-18)14-29-15-17(21-6-1-2-7-23(21)29)12-22-24(31)30(25(32)28-22)20-5-3-4-19(27)13-20/h1-13,15H,14H2,(H,28,32) |
| InChIK | VCMIMZPRAGBJMR-UHFFFAOYSA-N |
| TotalMolweight | 462.335 |
| Molweight | 462.335 |
| MonoisotopicMass | 461.069781 |
| CLogP | 5.3581 |
| CLogS | -6.669 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.65 |
| Relative PSA | 0.14549 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 4.8733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-(3-chlorophenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
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