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DocumentationIdentifier: MM279434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279434 |
| SMILES |
C=C(C=CC)CNC=NC
|
| InChIKey |
FCCDWIGFAHTNQI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157303
Similarity: 0.8495
Similarity to MM157303
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88290
Similarity: 0.8065
Similarity to MM88290
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357740
Similarity: 0.7596
Similarity to MM357740
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8634 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
