(5Z)-3-cyclohexyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C20H25N3O2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-cyclohexyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C20H25N3O2S |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N2CCOCC2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C20H25N3O2S/c24-19-18(21-20(26)23(19)17-4-2-1-3-5-17)14-15-6-8-16(9-7-15)22-10-12-25-13-11-22/h6-9,14,17H,1-5,10-13H2,(H,21,26) |
| InChIK | YLZQQCVETBXAPQ-UHFFFAOYSA-N |
| TotalMolweight | 371.504 |
| Molweight | 371.504 |
| MonoisotopicMass | 371.166747 |
| CLogP | 2.7064 |
| CLogS | -4.135 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.33 |
| Relative PSA | 0.24308 |
| PolarSurfaceArea | 76.9 |
| Druglikeness | -1.709 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
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