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DocumentationIdentifier: MM376543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376543 |
| SMILES |
C#CCNC(CC=O)=NC
|
| InChIKey |
BQPFXXUNPYRWAJ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82457
Similarity: 0.6519
Similarity to MM82457
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7896 |
| Dice metric | 0.7892 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381021
Similarity: 0.62
Similarity to MM381021
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.7665 |
| Dice metric | 0.7654 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73427
Similarity: 0.6197
Similarity to MM73427
| Tanimoto metric | 0.6197 |
|---|---|
| Cosine metric | 0.7652 |
| Dice metric | 0.7652 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
