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DocumentationIdentifier: MM71722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71722 |
| SMILES |
C=CC(=C)NC(CN)=NC
|
| InChIKey |
JONIEKMMRQUBAB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150426
Similarity: 0.7664
Similarity to MM150426
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8678 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143186
Similarity: 0.7226
Similarity to MM143186
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81281
Similarity: 0.6604
Similarity to MM81281
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7955 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
