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DocumentationIdentifier: MM306956
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306956 |
| SMILES |
C=CC(=O)C(C)(CO)CO
|
| InChIKey |
GFCVKPGUZTVZBG-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41646
Similarity: 0.8426
Similarity to MM41646
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9146 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197247
Similarity: 0.75
Similarity to MM197247
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM313641
Similarity: 0.6757
Similarity to MM313641
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8172 |
| Dice metric | 0.8065 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
