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DocumentationIdentifier: MM290866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290866 |
| SMILES |
CCNC(=O)C=CC(N)=O
|
| InChIKey |
LMUKJAZFWLIKCI-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289531
Similarity: 0.8095
Similarity to MM289531
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83787
Similarity: 0.75
Similarity to MM83787
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8571 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169826
Similarity: 0.7093
Similarity to MM169826
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8299 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
