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DocumentationIdentifier: MM226253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226253 |
| SMILES |
COC(C)(C)CN(C)C=O
|
| InChIKey |
GJRPFOKUWFIZQF-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141750
Similarity: 0.7719
Similarity to MM141750
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261599
Similarity: 0.6769
Similarity to MM261599
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8073 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293255
Similarity: 0.6176
Similarity to MM293255
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7641 |
| Dice metric | 0.7636 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
