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DocumentationIdentifier: MM312778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312778 |
| SMILES |
N#CC(C=O)(CF)CCO
|
| InChIKey |
RWYHFMNZEBREOB-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM307015
Similarity: 0.6748
Similarity to MM307015
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8071 |
| Dice metric | 0.8059 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42203
Similarity: 0.6357
Similarity to MM42203
| Tanimoto metric | 0.6357 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7773 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139336
Similarity: 0.6279
Similarity to MM139336
| Tanimoto metric | 0.6279 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7714 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
