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DocumentationIdentifier: MM174121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174121 |
| SMILES |
C=C(CO)C(N)C=CF
|
| InChIKey |
WAGVSMHDDPIRIM-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM270049
Similarity: 0.811
Similarity to MM270049
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51093
Similarity: 0.7087
Similarity to MM51093
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8295 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108614
Similarity: 0.6699
Similarity to MM108614
| Tanimoto metric | 0.6699 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8023 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
