1-cyclohexyl-3-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea
Formula:C25H26N3OFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-cyclohexyl-3-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea |
| MolecularFormula | C25H26N3OFS |
| Smiles | Fc1ccc(COc2c(/C=N\NC(NC3CCCCC3)=S)c3ccccc3cc2)cc1 |
| InChI | InChI=1S/C25H26FN3OS/c26-20-13-10-18(11-14-20)17-30-24-15-12-19-6-4-5-9-22(19)23(24)16-27-29-25(31)28-21-7-2-1-3-8-21/h4-6,9-16,21H,1-3,7-8,17H2,(H2,28,29,31) |
| InChIK | KDGCRHRJPRVANC-UHFFFAOYSA-N |
| TotalMolweight | 435.565 |
| Molweight | 435.565 |
| MonoisotopicMass | 435.17806 |
| CLogP | 6.0825 |
| CLogS | -7.649 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 345.92 |
| Relative PSA | 0.20938 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -4.2142 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 1-cyclohexyl-3-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea | 2 - 1-cyclohexyl-3-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea
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