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DocumentationIdentifier: MM72379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72379 |
| SMILES |
C=CNC(=O)C(F)=CCO
|
| InChIKey |
ZKGNCOUALAKBOI-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51088
Similarity: 0.8112
Similarity to MM51088
| Tanimoto metric | 0.8112 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174919
Similarity: 0.7832
Similarity to MM174919
| Tanimoto metric | 0.7832 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8784 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354939
Similarity: 0.7107
Similarity to MM354939
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.832 |
| Dice metric | 0.8309 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
