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DocumentationIdentifier: MM226771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226771 |
| SMILES |
CCC(C)(C)NC(=N)CO
|
| InChIKey |
RILPMOCCDMGUNW-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
MM328628
Similarity: 0.7355
Similarity to MM328628
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8476 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130785
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| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261938
Similarity: 0.6692
Similarity to MM261938
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8018 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
