(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Formula:C15H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one is a drug-like molecule.
| MolName | (1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one |
| MolecularFormula | C15H22N2O |
| Smiles | O=C(C=CC1)N(C[C@H]2CCC3)[C@H]1[C@@H]1[C@@H]2N3CCC1 |
| InChI | InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1 |
| InChIK | AAGFPTSOPGCENQ-JLNYLFASSA-N |
| TotalMolweight | 246.353 |
| Molweight | 246.353 |
| MonoisotopicMass | 246.173213 |
| CLogP | 1.432 |
| CLogS | -1.874 |
| H Acceptors | 3 |
| TotalSurfaceArea | 184.43 |
| Relative PSA | 0.1092 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 1.1302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 13 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one | 2 - (1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
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