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DocumentationIdentifier: MM34050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34050 |
| SMILES |
C#CC(C)(NC)C(O)C#N
|
| InChIKey |
KGKRCGYUUSLIRG-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124858
Similarity: 0.6761
Similarity to MM124858
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8068 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27915
Similarity: 0.6355
Similarity to MM27915
| Tanimoto metric | 0.6355 |
|---|---|
| Cosine metric | 0.7785 |
| Dice metric | 0.7771 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46677
Similarity: 0.5911
Similarity to MM46677
| Tanimoto metric | 0.5911 |
|---|---|
| Cosine metric | 0.746 |
| Dice metric | 0.743 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
