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DocumentationIdentifier: MM238149
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238149 |
| SMILES |
NC(N)=CC(=O)OCCF
|
| InChIKey |
UIUHGWROBIUGOL-UHFFFAOYSA-N
|
| MW [Da] |
148.14
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46439
Similarity: 0.83
Similarity to MM46439
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136229
Similarity: 0.81
Similarity to MM136229
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60251
Similarity: 0.7431
Similarity to MM60251
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8526 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
