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DocumentationIdentifier: MM239745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239745 |
| SMILES |
N#CC(F)(F)CCOC=O
|
| InChIKey |
BUBXLSMUZKNCDQ-UHFFFAOYSA-N
|
| MW [Da] |
149.1
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138364
Similarity: 0.8208
Similarity to MM138364
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48525
Similarity: 0.7358
Similarity to MM48525
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131541
Similarity: 0.6981
Similarity to MM131541
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
