(2Z,6Z)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
Formula:C26H28NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z,6Z)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2Z,6Z)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one |
| MolecularFormula | C26H28NO2Cl |
| Smiles | Oc1c(CN2CCCCC2)cc(/C=C(/CCC/C2=C/c(cc3)ccc3Cl)\C2=O)cc1 |
| InChI | InChI=1S/C26H28ClNO2/c27-24-10-7-19(8-11-24)15-21-5-4-6-22(26(21)30)16-20-9-12-25(29)23(17-20)18-28-13-2-1-3-14-28/h7-12,15-17,29H,1-6,13-14,18H2 |
| InChIK | VGGDXIXJVYYRAS-UHFFFAOYSA-N |
| TotalMolweight | 421.966 |
| Molweight | 421.966 |
| MonoisotopicMass | 421.180856 |
| CLogP | 5.8542 |
| CLogS | -5.5 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 329.1 |
| Relative PSA | 0.090216 |
| PolarSurfaceArea | 40.54 |
| Druglikeness | 2.4708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2Z,6Z)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one | 2 - (2Z,6Z)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
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