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DocumentationIdentifier: MM305233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305233 |
| SMILES |
CCOC(CCO)C(N)=O
|
| InChIKey |
OGRJHVCWQPZKRD-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179823
Similarity: 0.8074
Similarity to MM179823
| Tanimoto metric | 0.8074 |
|---|---|
| Cosine metric | 0.8986 |
| Dice metric | 0.8934 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393157
Similarity: 0.6943
Similarity to MM393157
| Tanimoto metric | 0.6943 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8195 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305336
Similarity: 0.679
Similarity to MM305336
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8088 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
