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DocumentationIdentifier: MM163916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163916 |
| SMILES |
C=CCC=C(F)C(N)=O
|
| InChIKey |
MOPBBWUCMRXZRD-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108878
Similarity: 0.83
Similarity to MM108878
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163917
Similarity: 0.7094
Similarity to MM163917
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.83 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163880
Similarity: 0.6975
Similarity to MM163880
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8218 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
