(1S,2S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
Formula:C15H26N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is a drug-like molecule.
| MolName | (1S,2S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane |
| MolecularFormula | C15H26N2 |
| Smiles | C(CC1)C[C@H]2N1C[C@H]1[C@H](CCCC3)N3CC2C1 |
| InChI | InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14-,15-/m0/s1 |
| InChIK | SLRCCWJSBJZJBV-AKRBKJBTSA-N |
| TotalMolweight | 234.385 |
| Molweight | 234.385 |
| MonoisotopicMass | 234.209598 |
| CLogP | 2.2736 |
| CLogS | -2.12 |
| H Acceptors | 2 |
| TotalSurfaceArea | 181.46 |
| Relative PSA | 0.039127 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 1.4482 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 17 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
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1 - (1S,2S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane | 2 - (1S,2S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
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