(2Z,6Z)-2-benzylidene-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
Formula:C26H29NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z,6Z)-2-benzylidene-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2Z,6Z)-2-benzylidene-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one |
| MolecularFormula | C26H29NO2 |
| Smiles | Oc1c(CN2CCCCC2)cc(/C=C(/CCC/C2=C/c3ccccc3)\C2=O)cc1 |
| InChI | InChI=1S/C26H29NO2/c28-25-13-12-21(18-24(25)19-27-14-5-2-6-15-27)17-23-11-7-10-22(26(23)29)16-20-8-3-1-4-9-20/h1,3-4,8-9,12-13,16-18,28H,2,5-7,10-11,14-15,19H2 |
| InChIK | KQXDRRPPRVKAFE-UHFFFAOYSA-N |
| TotalMolweight | 387.521 |
| Molweight | 387.521 |
| MonoisotopicMass | 387.219829 |
| CLogP | 5.2482 |
| CLogS | -4.764 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 313.68 |
| Relative PSA | 0.094651 |
| PolarSurfaceArea | 40.54 |
| Druglikeness | 2.4435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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 |
Click to Load Molecule:
1 - (2Z,6Z)-2-benzylidene-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one | 2 - (2Z,6Z)-2-benzylidene-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off