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DocumentationIdentifier: MM26847
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26847 |
| SMILES |
C=CC(C#N)NC(C)C#N
|
| InChIKey |
GHNWRFYHHVUIIZ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199267
Similarity: 0.8987
Similarity to MM199267
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199265
Similarity: 0.8072
Similarity to MM199265
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8946 |
| Dice metric | 0.8933 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327973
Similarity: 0.7791
Similarity to MM327973
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8758 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
