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DocumentationIdentifier: MM206638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM206638 |
| SMILES |
CCCC(O)CCC(=O)O
|
| InChIKey |
MYCCAWPBMVOJQF-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM206065
Similarity: 0.7551
Similarity to MM206065
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8605 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28773
Similarity: 0.7
Similarity to MM28773
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418984
Similarity: 0.699
Similarity to MM418984
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.8229 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
