(E)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-3-pyridin-3-ylprop-2-en-1-one
Formula:C26H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C26H22N2O |
| Smiles | O=C(/C=C/c1cnccc1)c(cc1)cc(C2C=CCC22)c1NC2c1ccccc1 |
| InChI | InChI=1S/C26H22N2O/c29-25(14-11-18-6-5-15-27-17-18)20-12-13-24-23(16-20)21-9-4-10-22(21)26(28-24)19-7-2-1-3-8-19/h1-9,11-17,21-22,26,28H,10H2 |
| InChIK | VYFDXRGAGHIBOW-UHFFFAOYSA-N |
| TotalMolweight | 378.474 |
| Molweight | 378.474 |
| MonoisotopicMass | 378.173213 |
| CLogP | 4.5583 |
| CLogS | -5.474 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 298.01 |
| Relative PSA | 0.11902 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.1973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (E)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-3-pyridin-3-ylprop-2-en-1-one | 2 - (E)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-3-pyridin-3-ylprop-2-en-1-one
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