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DocumentationIdentifier: MM165870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165870 |
| SMILES |
C#CCCCC(F)CC
|
| InChIKey |
SAOIEXYEPCVJOW-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
2.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291343
Similarity: 0.9643
Similarity to MM291343
| Tanimoto metric | 0.9643 |
|---|---|
| Cosine metric | 0.982 |
| Dice metric | 0.9818 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291344
Similarity: 0.8182
Similarity to MM291344
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367242
Similarity: 0.8182
Similarity to MM367242
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
