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DocumentationIdentifier: MM222466
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222466 |
| SMILES |
CC#CC(C)(F)C(C)(C)O
|
| InChIKey |
LEZIOMATBNMLFP-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132855
Similarity: 0.7438
Similarity to MM132855
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.853 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229871
Similarity: 0.678
Similarity to MM229871
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.8081 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235528
Similarity: 0.6503
Similarity to MM235528
| Tanimoto metric | 0.6503 |
|---|---|
| Cosine metric | 0.7895 |
| Dice metric | 0.7881 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
