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DocumentationIdentifier: MM42377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42377 |
| SMILES |
C=CCC(F)(C#N)C#N
|
| InChIKey |
PMZLTQARLBZROM-UHFFFAOYSA-N
|
| MW [Da] |
124.12
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103084
Similarity: 0.8537
Similarity to MM103084
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 113.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35205
Similarity: 0.6951
Similarity to MM35205
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139407
Similarity: 0.6863
Similarity to MM139407
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.814 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
