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DocumentationIdentifier: MM42097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42097 |
| SMILES |
CC(F)(C#N)C#CC#N
|
| InChIKey |
QBWWQQQJKXEFEW-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103232
Similarity: 0.8023
Similarity to MM103232
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139800
Similarity: 0.697
Similarity to MM139800
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8214 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139082
Similarity: 0.6832
Similarity to MM139082
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8118 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
