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DocumentationIdentifier: MM329449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329449 |
| SMILES |
C=CC(CN)OC(=O)CF
|
| InChIKey |
BDHUJPYSRWQCOH-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142081
Similarity: 0.7068
Similarity to MM142081
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8282 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142292
Similarity: 0.6917
Similarity to MM142292
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8178 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329447
Similarity: 0.6711
Similarity to MM329447
| Tanimoto metric | 0.6711 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8031 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
