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DocumentationIdentifier: MM174696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174696 |
| SMILES |
CC#CC(=O)C(F)C#N
|
| InChIKey |
MRSJYQCYGWDHCL-UHFFFAOYSA-N
|
| MW [Da] |
125.1
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM359104
Similarity: 0.88
Similarity to MM359104
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 136.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358982
Similarity: 0.88
Similarity to MM358982
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359100
Similarity: 0.8661
Similarity to MM359100
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9307 |
| Dice metric | 0.9283 |
| MW: | 139.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
