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DocumentationIdentifier: MM197924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197924 |
| SMILES |
O=CNC(C=O)C=O
|
| InChIKey |
YMNINONGQDTUOA-UHFFFAOYSA-N
|
| MW [Da] |
115.09
Automatically obtained from RDkit software. |
| LogP |
-1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97978
Similarity: 0.8542
Similarity to MM97978
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42385
Similarity: 0.6857
Similarity to MM42385
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8136 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28577
Similarity: 0.6406
Similarity to MM28577
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.7838 |
| Dice metric | 0.781 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
