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DocumentationIdentifier: MM221434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221434 |
| SMILES |
CC(=CC(C)(C)O)OC=O
|
| InChIKey |
YODDNBWTFQVEPO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136421
Similarity: 0.775
Similarity to MM136421
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267522
Similarity: 0.6667
Similarity to MM267522
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.8 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267388
Similarity: 0.6309
Similarity to MM267388
| Tanimoto metric | 0.6309 |
|---|---|
| Cosine metric | 0.7737 |
| Dice metric | 0.7737 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
