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DocumentationIdentifier: MM377140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377140 |
| SMILES |
C#CC(OC=O)C(O)CF
|
| InChIKey |
LCSQBLPLIGLDBS-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171993
Similarity: 0.6763
Similarity to MM171993
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8069 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94376
Similarity: 0.6369
Similarity to MM94376
| Tanimoto metric | 0.6369 |
|---|---|
| Cosine metric | 0.7808 |
| Dice metric | 0.7782 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377138
Similarity: 0.5556
Similarity to MM377138
| Tanimoto metric | 0.5556 |
|---|---|
| Cosine metric | 0.7143 |
| Dice metric | 0.7143 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
