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DocumentationIdentifier: MM214044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214044 |
| SMILES |
CN=CNCC=CC#N
|
| InChIKey |
CXWIPZSEORNFJO-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125935
Similarity: 0.7667
Similarity to MM125935
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372032
Similarity: 0.6742
Similarity to MM372032
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8054 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214043
Similarity: 0.6571
Similarity to MM214043
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7931 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
