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DocumentationIdentifier: MM82432
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82432 |
| SMILES |
CCC(=O)C(C)C(=O)CO
|
| InChIKey |
DOYZQQRMIYAEES-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
MM254043
Similarity: 0.774
Similarity to MM254043
| Tanimoto metric | 0.774 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8726 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350034
Similarity: 0.7097
Similarity to MM350034
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8302 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409115
Similarity: 0.6977
Similarity to MM409115
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8219 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
