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DocumentationIdentifier: MM427933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427933 |
| SMILES |
C=CC1CN1C(C#N)C#N
|
| InChIKey |
QIMSWQXQWFOETM-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211028
Similarity: 0.9379
Similarity to MM211028
| Tanimoto metric | 0.9379 |
|---|---|
| Cosine metric | 0.9685 |
| Dice metric | 0.968 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427927
Similarity: 0.8
Similarity to MM427927
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8889 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438019
Similarity: 0.7684
Similarity to MM438019
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.869 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
