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DocumentationIdentifier: MM402242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402242 |
| SMILES |
COCCNC(CO)CO
|
| InChIKey |
QHGGQCAZIJXKOZ-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165633
Similarity: 0.875
Similarity to MM165633
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42569
Similarity: 0.7949
Similarity to MM42569
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8857 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198581
Similarity: 0.7813
Similarity to MM198581
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
