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DocumentationIdentifier: MM274718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274718 |
| SMILES |
C=CC(=CC(=N)N)NC=N
|
| InChIKey |
XLXXSOVYVVKMCA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136504
Similarity: 0.7405
Similarity to MM136504
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267727
Similarity: 0.66
Similarity to MM267727
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7952 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274597
Similarity: 0.6074
Similarity to MM274597
| Tanimoto metric | 0.6074 |
|---|---|
| Cosine metric | 0.7557 |
| Dice metric | 0.7557 |
| MW: | 141.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
