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DocumentationIdentifier: MM76755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76755 |
| SMILES |
C#CC(O)(C#N)C(F)C#N
|
| InChIKey |
MMGABYXBBXRYSK-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
MM139953
Similarity: 0.75
Similarity to MM139953
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76772
Similarity: 0.7042
Similarity to MM76772
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8264 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41603
Similarity: 0.6957
Similarity to MM41603
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
