(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
Formula:C11H16O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol is a drug-like molecule.
| MolName | (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol |
| MolecularFormula | C11H16O2 |
| Smiles | OC(CC1C2CC3C1C1)C2C3C1O |
| InChI | InChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2 |
| InChIK | SGJHAJIYHXLQSR-UHFFFAOYSA-N |
| TotalMolweight | 180.246 |
| Molweight | 180.246 |
| MonoisotopicMass | 180.11503 |
| CLogP | 0.742 |
| CLogS | -2.3 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 113.48 |
| Relative PSA | 0.23088 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | 0.029297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 8 |
| Rings Closures | 4 |
| Small Rings | 7 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
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1 - (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol | 2 - (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
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