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DocumentationIdentifier: MM223854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223854 |
| SMILES |
C#CC(=O)C(O)C(C)(C)C
|
| InChIKey |
FHYGXMXGAPQERE-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300060
Similarity: 0.6849
Similarity to MM300060
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.813 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82426
Similarity: 0.6623
Similarity to MM82426
| Tanimoto metric | 0.6623 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7968 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349807
Similarity: 0.6474
Similarity to MM349807
| Tanimoto metric | 0.6474 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.786 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
