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DocumentationIdentifier: MM427949
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427949 |
| SMILES |
C=CC(C#N)N1CC1C#N
|
| InChIKey |
UYWPIQISGHPUHO-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
MM211030
Similarity: 0.8447
Similarity to MM211030
| 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
|
MM427927
Similarity: 0.779
Similarity to MM427927
| Tanimoto metric | 0.779 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8758 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
