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DocumentationIdentifier: MM244080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244080 |
| SMILES |
C=C(C)C(C)(C=O)OC=O
|
| InChIKey |
AAXXOTHSIJDFFA-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132757
Similarity: 0.6398
Similarity to MM132757
| Tanimoto metric | 0.6398 |
|---|---|
| Cosine metric | 0.7998 |
| Dice metric | 0.7803 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313063
Similarity: 0.5251
Similarity to MM313063
| Tanimoto metric | 0.5251 |
|---|---|
| Cosine metric | 0.7 |
| Dice metric | 0.6886 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243398
Similarity: 0.4948
Similarity to MM243398
| Tanimoto metric | 0.4948 |
|---|---|
| Cosine metric | 0.6661 |
| Dice metric | 0.6621 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
