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DocumentationIdentifier: MM86382
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86382 |
| SMILES |
C#CC#CC(F)C(O)CO
|
| InChIKey |
NQUPOLVXWUDEGO-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174572
Similarity: 0.8361
Similarity to MM174572
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357540
Similarity: 0.7727
Similarity to MM357540
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8718 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163544
Similarity: 0.7705
Similarity to MM163544
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
