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DocumentationIdentifier: MM376848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376848 |
| SMILES |
C=COC(C#N)C(F)C=O
|
| InChIKey |
VGRLOHLRWSJAPG-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02625
Similarity: 0.7785
Similarity to MM02625
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8754 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172199
Similarity: 0.6899
Similarity to MM172199
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.8165 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376850
Similarity: 0.5947
Similarity to MM376850
| Tanimoto metric | 0.5947 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.7459 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
