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DocumentationIdentifier: MM225634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225634 |
| SMILES |
CC(=O)C(O)C(C)(C)C=O
|
| InChIKey |
MKXYPVMXGHOCKF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298118
Similarity: 0.7037
Similarity to MM298118
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8261 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41548
Similarity: 0.6613
Similarity to MM41548
| Tanimoto metric | 0.6613 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.7961 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297898
Similarity: 0.6467
Similarity to MM297898
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7854 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
