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DocumentationIdentifier: MM35205
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35205 |
| SMILES |
CCC(F)(C#N)C#N
|
| InChIKey |
BQBOHWPDVAQGKS-UHFFFAOYSA-N
|
| MW [Da] |
112.11
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25710
Similarity: 0.807
Similarity to MM25710
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42380
Similarity: 0.76
Similarity to MM42380
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42377
Similarity: 0.6951
Similarity to MM42377
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 124.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
