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DocumentationIdentifier: MM427927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427927 |
| SMILES |
C=CC(C#N)N1CC1C=C
|
| InChIKey |
OIGCTVHFZWFJAF-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.93
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: 0.8447
Similarity to MM211028
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195181
Similarity: 0.8323
Similarity to MM195181
| Tanimoto metric | 0.8323 |
|---|---|
| Cosine metric | 0.9123 |
| Dice metric | 0.9085 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427933
Similarity: 0.8
Similarity to MM427933
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8889 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
