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DocumentationIdentifier: MM199451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199451 |
| SMILES |
CN=CNC(CN)CO
|
| InChIKey |
IMLOBSVMVSIBEQ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115964
Similarity: 0.7901
Similarity to MM115964
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95372
Similarity: 0.679
Similarity to MM95372
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8088 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177829
Similarity: 0.6701
Similarity to MM177829
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.8025 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
