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DocumentationIdentifier: MM98458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98458 |
| SMILES |
CC(CN)C(=N)N
|
| InChIKey |
POKFPORDSPGIFS-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM109101
Similarity: 0.7778
Similarity to MM109101
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103313
Similarity: 0.75
Similarity to MM103313
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108191
Similarity: 0.6885
Similarity to MM108191
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8155 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
