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DocumentationIdentifier: MM400656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400656 |
| SMILES |
C=CN(C=N)C(CO)CO
|
| InChIKey |
CQMZHJMORCYXHD-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197094
Similarity: 0.8868
Similarity to MM197094
| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379296
Similarity: 0.7231
Similarity to MM379296
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8393 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92024
Similarity: 0.7015
Similarity to MM92024
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8246 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
