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DocumentationIdentifier: MM42380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42380 |
| SMILES |
N#CCC(F)(C#N)C#N
|
| InChIKey |
CUVOKVNSICDTQE-UHFFFAOYSA-N
|
| MW [Da] |
123.09
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28573
Similarity: 0.8267
Similarity to MM28573
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35205
Similarity: 0.76
Similarity to MM35205
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02091
Similarity: 0.7041
Similarity to MM02091
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8263 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
