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DocumentationIdentifier: MM47966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47966 |
| SMILES |
N#CCNC(=O)C(F)F
|
| InChIKey |
QGPBCNIUUKYCDG-UHFFFAOYSA-N
|
| MW [Da] |
134.09
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36419
Similarity: 0.759
Similarity to MM36419
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 116.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108360
Similarity: 0.759
Similarity to MM108360
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 123.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162519
Similarity: 0.6364
Similarity to MM162519
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.778 |
| Dice metric | 0.7778 |
| MW: | 137.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
