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DocumentationIdentifier: MM222196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222196 |
| SMILES |
CC(=O)C(C)(C)OC(C)C
|
| InChIKey |
MWCBGYPVXXSGDM-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235273
Similarity: 0.8235
Similarity to MM235273
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.9032 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235208
Similarity: 0.776
Similarity to MM235208
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8739 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235272
Similarity: 0.7442
Similarity to MM235272
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8533 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
