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DocumentationIdentifier: MM372918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372918 |
| SMILES |
CC(C=O)OC=CNC=O
|
| InChIKey |
QJDONPQYASXVMY-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153603
Similarity: 0.7439
Similarity to MM153603
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8531 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232648
Similarity: 0.663
Similarity to MM232648
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.7995 |
| Dice metric | 0.7974 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317882
Similarity: 0.6019
Similarity to MM317882
| Tanimoto metric | 0.6019 |
|---|---|
| Cosine metric | 0.7515 |
| Dice metric | 0.7515 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
