(1S,2R,3S,13R,14R,16R)-15-oxo-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.07,12]nonadeca-5,7,9,11-tetraene-3-carboxamide
Formula:C17H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2R,3S,13R,14R,16R)-15-oxo-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.07,12]nonadeca-5,7,9,11-tetraene-3-carboxamide is a drug-like molecule.
| MolName | (1S,2R,3S,13R,14R,16R)-15-oxo-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.07,12]nonadeca-5,7,9,11-tetraene-3-carboxamide |
| MolecularFormula | C17H16N2O4 |
| Smiles | NC([C@H]([C@H]([C@@H]1O[C@H]2OC1)[C@H]([C@@H]13)C2=O)N1C=Cc1c3cccc1)=O |
| InChI | InChI=1S/C17H16N2O4/c18-16(21)14-11-10-7-22-17(23-10)15(20)12(11)13-9-4-2-1-3-8(9)5-6-19(13)14/h1-6,10-14,17H,7H2,(H2,18,21)/t10-,11+,12-,13+,14-,17-/m1/s1 |
| InChIK | JEDXXQPSAZQCEE-DSCKBNECSA-N |
| TotalMolweight | 312.324 |
| Molweight | 312.324 |
| MonoisotopicMass | 312.111008 |
| CLogP | -0.3369 |
| CLogS | -2.327 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 208.84 |
| Relative PSA | 0.31076 |
| PolarSurfaceArea | 81.86 |
| Druglikeness | 3.3206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.3913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,2R,3S,13R,14R,16R)-15-oxo-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.07,12]nonadeca-5,7,9,11-tetraene-3-carboxamide | 2 - (1S,2R,3S,13R,14R,16R)-15-oxo-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.07,12]nonadeca-5,7,9,11-tetraene-3-carboxamide
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