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DocumentationIdentifier: MM314457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314457 |
| SMILES |
CC1(C)CN1C(C#N)C#N
|
| InChIKey |
IJRYUBPMMDRLJS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM140456
Similarity: 0.9225
Similarity to MM140456
| Tanimoto metric | 0.9225 |
|---|---|
| Cosine metric | 0.9605 |
| Dice metric | 0.9597 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195182
Similarity: 0.7752
Similarity to MM195182
| Tanimoto metric | 0.7752 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328538
Similarity: 0.7212
Similarity to MM328538
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.838 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
