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DocumentationIdentifier: MM338052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338052 |
| SMILES |
C=CC(C#N)=CC(O)C=C
|
| InChIKey |
SRZKLZFNLXACED-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150925
Similarity: 0.8304
Similarity to MM150925
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338054
Similarity: 0.7795
Similarity to MM338054
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8761 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143516
Similarity: 0.7232
Similarity to MM143516
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
