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DocumentationIdentifier: MM357540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357540 |
| SMILES |
CCC#CC(F)C(O)CO
|
| InChIKey |
AZVCOKVLQFRSDV-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.09
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: 0.9107
Similarity to MM174572
| Tanimoto metric | 0.9107 |
|---|---|
| Cosine metric | 0.9543 |
| Dice metric | 0.9533 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163494
Similarity: 0.7857
Similarity to MM163494
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86382
Similarity: 0.7727
Similarity to MM86382
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8718 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+501 more
