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DocumentationIdentifier: MM94232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94232 |
| SMILES |
C=COC(C#N)C(O)C#N
|
| InChIKey |
DTCZDCBDSHXFMA-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52192
Similarity: 0.839
Similarity to MM52192
| Tanimoto metric | 0.839 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9124 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376576
Similarity: 0.8062
Similarity to MM376576
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8927 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50033
Similarity: 0.7966
Similarity to MM50033
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
