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DocumentationIdentifier: MM245652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245652 |
| SMILES |
CN=C(N)CC(O)C(N)=O
|
| InChIKey |
ZSAPJFZQJNAMDN-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133720
Similarity: 0.7613
Similarity to MM133720
| Tanimoto metric | 0.7613 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8645 |
| MW: | 131.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268850
Similarity: 0.6082
Similarity to MM268850
| Tanimoto metric | 0.6082 |
|---|---|
| Cosine metric | 0.7564 |
| Dice metric | 0.7564 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144824
Similarity: 0.5742
Similarity to MM144824
| Tanimoto metric | 0.5742 |
|---|---|
| Cosine metric | 0.7578 |
| Dice metric | 0.7295 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+18 more
