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DocumentationIdentifier: MM442790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442790 |
| SMILES |
C#CC1NC1C(=O)CC
|
| InChIKey |
WPVYIWBLWNBWRI-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268949
Similarity: 0.89
Similarity to MM268949
| Tanimoto metric | 0.89 |
|---|---|
| Cosine metric | 0.9434 |
| Dice metric | 0.9418 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152347
Similarity: 0.8054
Similarity to MM152347
| Tanimoto metric | 0.8054 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8922 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395205
Similarity: 0.7921
Similarity to MM395205
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.884 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
