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DocumentationIdentifier: MM353080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353080 |
| SMILES |
CN(CC=CF)C(=O)CO
|
| InChIKey |
JMEWNCJAPJHFCI-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172588
Similarity: 0.8
Similarity to MM172588
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162892
Similarity: 0.7217
Similarity to MM162892
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353078
Similarity: 0.6917
Similarity to MM353078
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
