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DocumentationIdentifier: MM383123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383123 |
| SMILES |
C=CC=C(CN)NC=NC
|
| InChIKey |
YHKJXBVPSWMNKO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92573
Similarity: 0.8056
Similarity to MM92573
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418431
Similarity: 0.725
Similarity to MM418431
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8406 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89607
Similarity: 0.6899
Similarity to MM89607
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8165 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
