(5R,6R)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Formula:C28H31NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5R,6R)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is not a drug-like molecule.
| MolName | (5R,6R)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol |
| MolecularFormula | C28H31NO2 |
| Smiles | Oc1cc(CC[C@H]([C@@H]2c(cc3)ccc3OCCN3CCCC3)c3ccccc3)c2cc1 |
| InChI | InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28-/m0/s1 |
| InChIK | GXESHMAMLJKROZ-XCZPVHLTSA-N |
| TotalMolweight | 413.559 |
| Molweight | 413.559 |
| MonoisotopicMass | 413.235479 |
| CLogP | 5.5797 |
| CLogS | -4.921 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 327.51 |
| Relative PSA | 0.081372 |
| PolarSurfaceArea | 32.7 |
| Druglikeness | 3.1797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (5R,6R)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol | 2 - (5R,6R)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
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