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DocumentationIdentifier: MM41425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41425 |
| SMILES |
C=C(OC)C(C#N)NC
|
| InChIKey |
FILWTEPHQWKJON-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM408785
Similarity: 0.8163
Similarity to MM408785
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409461
Similarity: 0.8108
Similarity to MM409461
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41138
Similarity: 0.7947
Similarity to MM41138
| Tanimoto metric | 0.7947 |
|---|---|
| Cosine metric | 0.8915 |
| Dice metric | 0.8856 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
