(3E)-3-amino-N-cyclohexyl-3-[2-(3,4-dichloroanilino)-2-oxoethoxy]iminopropanamide
Formula:C17H22N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-N-cyclohexyl-3-[2-(3,4-dichloroanilino)-2-oxoethoxy]iminopropanamide is a drug-like molecule.
| MolName | (3E)-3-amino-N-cyclohexyl-3-[2-(3,4-dichloroanilino)-2-oxoethoxy]iminopropanamide |
| MolecularFormula | C17H22N4O3Cl2 |
| Smiles | N/C(/CC(NC1CCCCC1)=O)=N/OCC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C17H22Cl2N4O3/c18-13-7-6-12(8-14(13)19)22-17(25)10-26-23-15(20)9-16(24)21-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H2,20,23)(H,21,24)(H,22,25) |
| InChIK | IHOCLTRUPDIBRE-UHFFFAOYSA-N |
| TotalMolweight | 401.293 |
| Molweight | 401.293 |
| MonoisotopicMass | 400.106895 |
| CLogP | 2.8197 |
| CLogS | -4.971 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 299.33 |
| Relative PSA | 0.28657 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | -1.3149 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (3E)-3-amino-N-cyclohexyl-3-[2-(3,4-dichloroanilino)-2-oxoethoxy]iminopropanamide | 2 - (3E)-3-amino-N-cyclohexyl-3-[2-(3,4-dichloroanilino)-2-oxoethoxy]iminopropanamide
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