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DocumentationIdentifier: MM405165
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405165 |
| SMILES |
CC(C#N)C1NC1C=O
|
| InChIKey |
AIQBJEGMBKFFMM-UHFFFAOYSA-N
|
| MW [Da] |
124.14
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
MM396521
Similarity: 0.8154
Similarity to MM396521
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404023
Similarity: 0.7644
Similarity to MM404023
| Tanimoto metric | 0.7644 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8665 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124392
Similarity: 0.7233
Similarity to MM124392
| Tanimoto metric | 0.7233 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8394 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
