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DocumentationIdentifier: MM94086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94086 |
| SMILES |
C#CC(F)C(CO)OCC
|
| InChIKey |
KFSCVNCRIXFVFN-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
MM53220
Similarity: 0.8143
Similarity to MM53220
| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8976 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348711
Similarity: 0.6928
Similarity to MM348711
| Tanimoto metric | 0.6928 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8185 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376388
Similarity: 0.6867
Similarity to MM376388
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.8143 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
