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DocumentationIdentifier: MM246565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246565 |
| SMILES |
C#CC(=C)NC(=O)C(F)F
|
| InChIKey |
DQWFXEHLYCDOJR-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43241
Similarity: 0.8077
Similarity to MM43241
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264846
Similarity: 0.6818
Similarity to MM264846
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8108 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246319
Similarity: 0.6623
Similarity to MM246319
| Tanimoto metric | 0.6623 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7968 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
