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DocumentationIdentifier: MM78871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78871 |
| SMILES |
C=NNC=C(C=O)OC=O
|
| InChIKey |
HTVYIEHSYFVQGM-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91774
Similarity: 0.5817
Similarity to MM91774
| Tanimoto metric | 0.5817 |
|---|---|
| Cosine metric | 0.7356 |
| Dice metric | 0.7355 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179224
Similarity: 0.5105
Similarity to MM179224
| Tanimoto metric | 0.5105 |
|---|---|
| Cosine metric | 0.6801 |
| Dice metric | 0.6759 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386267
Similarity: 0.4424
Similarity to MM386267
| Tanimoto metric | 0.4424 |
|---|---|
| Cosine metric | 0.6135 |
| Dice metric | 0.6134 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
