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DocumentationIdentifier: MM273371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273371 |
| SMILES |
CC#CC(=CF)OC(C)=O
|
| InChIKey |
DOEPEGMCBUGCLS-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150599
Similarity: 0.8058
Similarity to MM150599
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8924 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135951
Similarity: 0.705
Similarity to MM135951
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.827 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334655
Similarity: 0.6975
Similarity to MM334655
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8218 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
