(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
Formula:C25H35N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C25H35N3O2S |
| Smiles | O=C(/C(/S1)=C/c2ccc(N3CCCCC3)o2)N(C2CCCCC2)/C1=N/C1CCCCC1 |
| InChI | InChI=1S/C25H35N3O2S/c29-24-22(18-21-14-15-23(30-21)27-16-8-3-9-17-27)31-25(26-19-10-4-1-5-11-19)28(24)20-12-6-2-7-13-20/h14-15,18-20H,1-13,16-17H2 |
| InChIK | YMARKAUCJQUIKU-UHFFFAOYSA-N |
| TotalMolweight | 441.638 |
| Molweight | 441.638 |
| MonoisotopicMass | 441.244997 |
| CLogP | 5.3532 |
| CLogS | -7.19 |
| H Acceptors | 5 |
| TotalSurfaceArea | 343.87 |
| Relative PSA | 0.18394 |
| PolarSurfaceArea | 74.35 |
| Druglikeness | 0.4725 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
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