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DocumentationIdentifier: MM76734
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76734 |
| SMILES |
C#CC(F)C(O)(C#N)C#N
|
| InChIKey |
GKAWYFIVNOANQA-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41578
Similarity: 0.8649
Similarity to MM41578
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42590
Similarity: 0.7095
Similarity to MM42590
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320023
Similarity: 0.6564
Similarity to MM320023
| Tanimoto metric | 0.6564 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7926 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
