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DocumentationIdentifier: MM77003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77003 |
| SMILES |
C#CC(=O)C(F)(C#C)C#N
|
| InChIKey |
PMYZSUZDWBLTEC-UHFFFAOYSA-N
|
| MW [Da] |
135.1
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
MM41733
Similarity: 0.7043
Similarity to MM41733
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8392 |
| Dice metric | 0.8265 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76960
Similarity: 0.6502
Similarity to MM76960
| Tanimoto metric | 0.6502 |
|---|---|
| Cosine metric | 0.7929 |
| Dice metric | 0.7881 |
| MW: | 136.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137983
Similarity: 0.629
Similarity to MM137983
| Tanimoto metric | 0.629 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7723 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
