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DocumentationIdentifier: MM222623
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222623 |
| SMILES |
CC(O)C(=O)CC(C)(C)C
|
| InChIKey |
YHNLDSVEGFDTGY-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133822
Similarity: 0.8511
Similarity to MM133822
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245995
Similarity: 0.7105
Similarity to MM245995
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8308 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57207
Similarity: 0.678
Similarity to MM57207
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.8081 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
