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DocumentationIdentifier: MM248089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248089 |
| SMILES |
C=CC(O)C=C(C)C(N)=O
|
| InChIKey |
QCGLZEPHKKURIH-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264379
Similarity: 0.8102
Similarity to MM264379
| Tanimoto metric | 0.8102 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8952 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248090
Similarity: 0.6894
Similarity to MM248090
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8162 |
| Dice metric | 0.8162 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248026
Similarity: 0.6607
Similarity to MM248026
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.7958 |
| Dice metric | 0.7957 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
