(E)-2-cyano-N-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide
Formula:C25H23N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide |
| MolecularFormula | C25H23N3OCl2 |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C25H23Cl2N3O/c26-20-11-10-17(23(27)13-20)15-30-16-19(22-8-4-5-9-24(22)30)12-18(14-28)25(31)29-21-6-2-1-3-7-21/h4-5,8-13,16,21H,1-3,6-7,15H2,(H,29,31) |
| InChIK | NSURFDIEUGYEEX-UHFFFAOYSA-N |
| TotalMolweight | 452.384 |
| Molweight | 452.384 |
| MonoisotopicMass | 451.121816 |
| CLogP | 5.577 |
| CLogS | -6.287 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 344.85 |
| Relative PSA | 0.13029 |
| PolarSurfaceArea | 57.82 |
| Druglikeness | -4.3222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide
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