(5S,7R)-3-chloro-N,N-dipyridin-2-yladamantane-1-carboxamide
Formula:C21H22N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5S,7R)-3-chloro-N,N-dipyridin-2-yladamantane-1-carboxamide is a drug-like molecule.
| MolName | (5S,7R)-3-chloro-N,N-dipyridin-2-yladamantane-1-carboxamide |
| MolecularFormula | C21H22N3OCl |
| Smiles | O=C(C(C[C@@H](C1)C2)(C[C@H]1C1)CC12Cl)N(c1ncccc1)c1ncccc1 |
| InChI | InChI=1S/C21H22ClN3O/c22-21-12-15-9-16(13-21)11-20(10-15,14-21)19(26)25(17-5-1-3-7-23-17)18-6-2-4-8-24-18/h1-8,15-16H,9-14H2/t15-,16-,20?,21?/m1/s1 |
| InChIK | YOPRVBOLIGBAHF-AJHHTPGJSA-N |
| TotalMolweight | 367.879 |
| Molweight | 367.879 |
| MonoisotopicMass | 367.145139 |
| CLogP | 3.4433 |
| CLogS | -5.918 |
| H Acceptors | 4 |
| TotalSurfaceArea | 261.89 |
| Relative PSA | 0.14712 |
| PolarSurfaceArea | 46.09 |
| Druglikeness | 2.5698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.38462 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | unknown chirality |
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