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DocumentationIdentifier: MM264438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264438 |
| SMILES |
CC=CC(=O)CC(N)=NC
|
| InChIKey |
GRUCVKGIQLNTNC-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87661
Similarity: 0.8346
Similarity to MM87661
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223402
Similarity: 0.6853
Similarity to MM223402
| Tanimoto metric | 0.6853 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8133 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237639
Similarity: 0.6781
Similarity to MM237639
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8082 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
