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DocumentationIdentifier: MM374112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374112 |
| SMILES |
C=CC(=C)CC=CNC=N
|
| InChIKey |
WGIYJEYVOBTMCD-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153712
Similarity: 0.8025
Similarity to MM153712
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281940
Similarity: 0.7396
Similarity to MM281940
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8503 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373521
Similarity: 0.6842
Similarity to MM373521
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.8125 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
