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DocumentationIdentifier: MM345162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345162 |
| SMILES |
C=CC1NC1C(C)(C)C#N
|
| InChIKey |
YIGWXRIQVNMTEQ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210956
Similarity: 0.829
Similarity to MM210956
| Tanimoto metric | 0.829 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152048
Similarity: 0.772
Similarity to MM152048
| Tanimoto metric | 0.772 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427784
Similarity: 0.7656
Similarity to MM427784
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8672 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
