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DocumentationIdentifier: MM345696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345696 |
| SMILES |
C#CC(C#CC(C)=O)=CF
|
| InChIKey |
OLBQDMWYWORYPT-UHFFFAOYSA-N
|
| MW [Da] |
136.13
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146252
Similarity: 0.8019
Similarity to MM146252
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146218
Similarity: 0.7358
Similarity to MM146218
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201521
Similarity: 0.7358
Similarity to MM201521
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
