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DocumentationIdentifier: MM346091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346091 |
| SMILES |
C=CN(C=O)CC=C(C)F
|
| InChIKey |
PBYWVWFFQLVFMC-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146351
Similarity: 0.7431
Similarity to MM146351
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199638
Similarity: 0.7248
Similarity to MM199638
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199637
Similarity: 0.6972
Similarity to MM199637
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8216 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
