(1R,2S,6R,11S,13S,14S)-14-hydroxy-4-(3-phenoxyphenyl)-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione
Formula:C24H19NO6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(1R,2S,6R,11S,13S,14S)-14-hydroxy-4-(3-phenoxyphenyl)-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione is a drug-like molecule.
| MolName | (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-(3-phenoxyphenyl)-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione |
| MolecularFormula | C24H19NO6 |
| Smiles | O[C@H]([C@@H]1O[C@@H]1C1=O)[C@H]([C@@H]2C(N3c4cc(Oc5ccccc5)ccc4)=O)C1=CC[C@H]2C3=O |
| InChI | InChI=1S/C24H19NO6/c26-19-15-9-10-16-18(17(15)20(27)22-21(19)31-22)24(29)25(23(16)28)12-5-4-8-14(11-12)30-13-6-2-1-3-7-13/h1-9,11,16-18,20-22,27H,10H2/t16-,17-,18-,20+,21+,22-/m0/s1 |
| InChIK | ANJCMWBNMKERRV-RWKKZROESA-N |
| TotalMolweight | 417.416 |
| Molweight | 417.416 |
| MonoisotopicMass | 417.121239 |
| CLogP | 1.4578 |
| CLogS | -5.163 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.04 |
| Relative PSA | 0.28762 |
| PolarSurfaceArea | 96.44 |
| Druglikeness | 4.0536 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-(3-phenoxyphenyl)-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione | 2 - (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-(3-phenoxyphenyl)-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione
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