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DocumentationIdentifier: MM237231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237231 |
| SMILES |
C=C(CN(C)C)NC=NC
|
| InChIKey |
MWFSKDILBCFUOA-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85717
Similarity: 0.7426
Similarity to MM85717
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8523 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94888
Similarity: 0.6975
Similarity to MM94888
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8218 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95056
Similarity: 0.6778
Similarity to MM95056
| Tanimoto metric | 0.6778 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8079 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
