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DocumentationIdentifier: MM226381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226381 |
| SMILES |
CNC(C)CC(C)(C)C#N
|
| InChIKey |
MXJDXUCXDOGPTB-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141678
Similarity: 0.7959
Similarity to MM141678
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326171
Similarity: 0.6752
Similarity to MM326171
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8061 |
| Dice metric | 0.8061 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244834
Similarity: 0.6724
Similarity to MM244834
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8041 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
