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DocumentationIdentifier: MM154172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154172 |
| SMILES |
C=C(F)C=CCCC#N
|
| InChIKey |
JWAGNXBKHVKZLK-UHFFFAOYSA-N
|
| MW [Da] |
125.15
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367180
Similarity: 0.8072
Similarity to MM367180
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367185
Similarity: 0.7791
Similarity to MM367185
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106290
Similarity: 0.7761
Similarity to MM106290
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
