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DocumentationIdentifier: MM79270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79270 |
| SMILES |
C#CC(=O)C#CC(F)CO
|
| InChIKey |
XRDKUTAGFXIXOM-UHFFFAOYSA-N
|
| MW [Da] |
140.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146140
Similarity: 0.729
Similarity to MM146140
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323130
Similarity: 0.7073
Similarity to MM323130
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8286 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323128
Similarity: 0.6822
Similarity to MM323128
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8111 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
