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DocumentationIdentifier: MM371960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371960 |
| SMILES |
C#CC(F)=CC#CCC#N
|
| InChIKey |
NIXWVRIWSAYBNZ-UHFFFAOYSA-N
|
| MW [Da] |
133.13
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155110
Similarity: 0.8256
Similarity to MM155110
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9045 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171706
Similarity: 0.814
Similarity to MM171706
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284531
Similarity: 0.7549
Similarity to MM284531
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8603 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
