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DocumentationIdentifier: MM61969
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61969 |
| SMILES |
C#CC(C)(C=O)C(N)=NC
|
| InChIKey |
ONXMVBDZKHJIFQ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197555
Similarity: 0.7534
Similarity to MM197555
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76098
Similarity: 0.7192
Similarity to MM76098
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8367 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47731
Similarity: 0.6766
Similarity to MM47731
| Tanimoto metric | 0.6766 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.8071 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
