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DocumentationIdentifier: MM162867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162867 |
| SMILES |
C=C(C)C(C)NC=NC
|
| InChIKey |
ZDIZMOUGKKCRBB-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394110
Similarity: 0.8165
Similarity to MM394110
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.899 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353238
Similarity: 0.7672
Similarity to MM353238
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8683 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235345
Similarity: 0.7417
Similarity to MM235345
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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