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DocumentationIdentifier: MM84519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84519 |
| SMILES |
C=CN(C=N)C=CC=O
|
| InChIKey |
FZDJBXRJLRNLNF-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM114181
Similarity: 0.7826
Similarity to MM114181
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83564
Similarity: 0.69
Similarity to MM83564
| Tanimoto metric | 0.69 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8166 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81543
Similarity: 0.6832
Similarity to MM81543
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8118 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
