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DocumentationIdentifier: MM385693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385693 |
| SMILES |
C=CNC(CO)=NCCO
|
| InChIKey |
FQCWRAXRXUDSNL-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82427
Similarity: 0.8571
Similarity to MM82427
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385691
Similarity: 0.7405
Similarity to MM385691
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.8509 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410797
Similarity: 0.6719
Similarity to MM410797
| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.8046 |
| Dice metric | 0.8037 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
