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DocumentationIdentifier: MM234413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234413 |
| SMILES |
C=CCC(F)(F)C#CCO
|
| InChIKey |
NQKZWGYGOAFQLS-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139007
Similarity: 0.7522
Similarity to MM139007
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234414
Similarity: 0.7087
Similarity to MM234414
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8295 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234427
Similarity: 0.6818
Similarity to MM234427
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8109 |
| Dice metric | 0.8108 |
| MW: | 141.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
