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DocumentationIdentifier: MM297117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297117 |
| SMILES |
CNCC(C)=C(C)NC=N
|
| InChIKey |
GKOQTLABCGWMCO-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM422578
Similarity: 0.7519
Similarity to MM422578
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8584 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384944
Similarity: 0.6533
Similarity to MM384944
| Tanimoto metric | 0.6533 |
|---|---|
| Cosine metric | 0.7912 |
| Dice metric | 0.7903 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354316
Similarity: 0.6234
Similarity to MM354316
| Tanimoto metric | 0.6234 |
|---|---|
| Cosine metric | 0.7692 |
| Dice metric | 0.768 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
