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DocumentationIdentifier: MM378237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378237 |
| SMILES |
C=CC(C=CC=O)NC=N
|
| InChIKey |
CTARFUDRLMNUKN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378129
Similarity: 0.6667
Similarity to MM378129
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8012 |
| Dice metric | 0.8 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389147
Similarity: 0.6455
Similarity to MM389147
| Tanimoto metric | 0.6455 |
|---|---|
| Cosine metric | 0.7855 |
| Dice metric | 0.7845 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378523
Similarity: 0.6094
Similarity to MM378523
| Tanimoto metric | 0.6094 |
|---|---|
| Cosine metric | 0.7596 |
| Dice metric | 0.7573 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
