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DocumentationIdentifier: MM368201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368201 |
| SMILES |
CCN=CNCC(F)C#N
|
| InChIKey |
GFLDQXLIMNASAY-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167275
Similarity: 0.8901
Similarity to MM167275
| Tanimoto metric | 0.8901 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 129.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240120
Similarity: 0.6807
Similarity to MM240120
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.81 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367568
Similarity: 0.6442
Similarity to MM367568
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7836 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
