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DocumentationIdentifier: MM206071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM206071 |
| SMILES |
CCC(C)(O)CCC(=O)O
|
| InChIKey |
BHWOTLCMMUBASI-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
MM40014
Similarity: 0.7429
Similarity to MM40014
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206065
Similarity: 0.6555
Similarity to MM206065
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7919 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206638
Similarity: 0.6518
Similarity to MM206638
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7892 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
