N'-hydroxy-3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanimidamide
Formula:C25H31N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanimidamide |
| MolecularFormula | C25H31N3O2 |
| Smiles | N/C(/CCN(C(CC1)C2)C1CC2OC(c1c(CC2)cccc1)c1c2cccc1)=N\O |
| InChI | InChI=1S/C25H31N3O2/c26-24(27-29)13-14-28-19-11-12-20(28)16-21(15-19)30-25-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)25/h1-8,19-21,25,29H,9-16H2,(H2,26,27) |
| InChIK | HNTQDLBTCDZTGV-UHFFFAOYSA-N |
| TotalMolweight | 405.54 |
| Molweight | 405.54 |
| MonoisotopicMass | 405.241627 |
| CLogP | 4.5185 |
| CLogS | -4.965 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 310.74 |
| Relative PSA | 0.17194 |
| PolarSurfaceArea | 71.08 |
| Druglikeness | 1.4872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N'-hydroxy-3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanimidamide | 2 - N'-hydroxy-3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanimidamide
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