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DocumentationIdentifier: MM277285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM277285 |
| SMILES |
CC1C(C)N1C(C)(C)C#N
|
| InChIKey |
GLZGLEKPMRANPP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152072
Similarity: 0.8467
Similarity to MM152072
| Tanimoto metric | 0.8467 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.917 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212151
Similarity: 0.8102
Similarity to MM212151
| Tanimoto metric | 0.8102 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8952 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344936
Similarity: 0.7764
Similarity to MM344936
| Tanimoto metric | 0.7764 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8741 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
