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DocumentationIdentifier: MM228023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228023 |
| SMILES |
CC(=O)OCC(C)(C)CO
|
| InChIKey |
OQKCATBWQLXRQX-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM340577
Similarity: 0.8046
Similarity to MM340577
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8917 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130425
Similarity: 0.747
Similarity to MM130425
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316697
Similarity: 0.7071
Similarity to MM316697
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8284 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
