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DocumentationIdentifier: MM35387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35387 |
| SMILES |
N#CC(O)C(F)CO
|
| InChIKey |
BZMDQTABWZAVHJ-UHFFFAOYSA-N
|
| MW [Da] |
119.1
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98432
Similarity: 0.7333
Similarity to MM98432
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 103.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53232
Similarity: 0.6696
Similarity to MM53232
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111575
Similarity: 0.6484
Similarity to MM111575
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.7867 |
| Dice metric | 0.7867 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
