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DocumentationIdentifier: MM447664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447664 |
| SMILES |
C=CC1CN1CC=CC#N
|
| InChIKey |
YFQNZZBRNMOXOC-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216984
Similarity: 0.8739
Similarity to MM216984
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9327 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447626
Similarity: 0.8189
Similarity to MM447626
| Tanimoto metric | 0.8189 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.9004 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441495
Similarity: 0.8056
Similarity to MM441495
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8923 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
