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DocumentationIdentifier: MM77272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77272 |
| SMILES |
C#CC(F)(CO)CCOC
|
| InChIKey |
JSBQEFNCAUCDAW-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139466
Similarity: 0.7984
Similarity to MM139466
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.8879 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138491
Similarity: 0.6977
Similarity to MM138491
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320075
Similarity: 0.6646
Similarity to MM320075
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7985 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
