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DocumentationIdentifier: MM28072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28072 |
| SMILES |
CC(C)NC(C)(C#N)C#N
|
| InChIKey |
JVAUQEUTONCNCQ-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27940
Similarity: 0.9054
Similarity to MM27940
| Tanimoto metric | 0.9054 |
|---|---|
| Cosine metric | 0.9515 |
| Dice metric | 0.9504 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309501
Similarity: 0.8625
Similarity to MM309501
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9262 |
| Dice metric | 0.9262 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130692
Similarity: 0.8108
Similarity to MM130692
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
