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DocumentationIdentifier: MM251880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251880 |
| SMILES |
CCC=C(F)CNC(C)=O
|
| InChIKey |
OPXBJDGHERVGJQ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM251881
Similarity: 0.7188
Similarity to MM251881
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.8364 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320565
Similarity: 0.6977
Similarity to MM320565
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8219 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360385
Similarity: 0.6935
Similarity to MM360385
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.819 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
