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DocumentationIdentifier: MM270049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270049 |
| SMILES |
C=C(CO)C(N)C=C(F)F
|
| InChIKey |
DPXGOARAYMZASM-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174121
Similarity: 0.811
Similarity to MM174121
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134114
Similarity: 0.7165
Similarity to MM134114
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270243
Similarity: 0.619
Similarity to MM270243
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.7647 |
| MW: | 151.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
