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DocumentationIdentifier: MM378163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378163 |
| SMILES |
O=CCN(C=O)C=CCO
|
| InChIKey |
FKDBLUDUDZUYQQ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178277
Similarity: 0.7864
Similarity to MM178277
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378269
Similarity: 0.713
Similarity to MM378269
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8325 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378159
Similarity: 0.6942
Similarity to MM378159
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8195 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
