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DocumentationIdentifier: MM383400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383400 |
| SMILES |
C=CC(=CC#N)NC=NC
|
| InChIKey |
OSVJXGOZRMJHGU-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80002
Similarity: 0.8304
Similarity to MM80002
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200408
Similarity: 0.7589
Similarity to MM200408
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420197
Similarity: 0.68
Similarity to MM420197
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8095 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
