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DocumentationIdentifier: MM221728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221728 |
| SMILES |
CC(O)CC(C)(C)NC=N
|
| InChIKey |
CBBLWXADZWOTPA-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221130
Similarity: 0.6812
Similarity to MM221130
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8104 |
| Dice metric | 0.8103 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132382
Similarity: 0.6667
Similarity to MM132382
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237122
Similarity: 0.6567
Similarity to MM237122
| Tanimoto metric | 0.6567 |
|---|---|
| Cosine metric | 0.794 |
| Dice metric | 0.7928 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
