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DocumentationIdentifier: MM390605
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390605 |
| SMILES |
C=CC(O)C(=CN)C(C)=O
|
| InChIKey |
GOAWFGYPBJOMBQ-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
MM161057
Similarity: 0.6982
Similarity to MM161057
| Tanimoto metric | 0.6982 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352403
Similarity: 0.602
Similarity to MM352403
| Tanimoto metric | 0.602 |
|---|---|
| Cosine metric | 0.7538 |
| Dice metric | 0.7516 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM180436
Similarity: 0.568
Similarity to MM180436
| Tanimoto metric | 0.568 |
|---|---|
| Cosine metric | 0.7537 |
| Dice metric | 0.7245 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
