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DocumentationIdentifier: MM300087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300087 |
| SMILES |
CC#CC(=O)C(O)C(=N)N
|
| InChIKey |
OOXNIZOZDMBMNV-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71910
Similarity: 0.814
Similarity to MM71910
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350748
Similarity: 0.6558
Similarity to MM350748
| Tanimoto metric | 0.6558 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7921 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70675
Similarity: 0.6195
Similarity to MM70675
| Tanimoto metric | 0.6195 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.765 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
