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DocumentationIdentifier: MM84290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84290 |
| SMILES |
O=CCC=C(F)CNC=O
|
| InChIKey |
RHRSUQKCHYQFFL-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360385
Similarity: 0.7414
Similarity to MM360385
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8515 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360307
Similarity: 0.7203
Similarity to MM360307
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8375 |
| Dice metric | 0.8374 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360387
Similarity: 0.6911
Similarity to MM360387
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8173 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
