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DocumentationIdentifier: MM49991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49991 |
| SMILES |
CCCC(O)C(O)C=O
|
| InChIKey |
JEGKYWBIXBMFNP-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM296836
Similarity: 0.7091
Similarity to MM296836
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8298 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172165
Similarity: 0.6889
Similarity to MM172165
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8158 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36155
Similarity: 0.641
Similarity to MM36155
| Tanimoto metric | 0.641 |
|---|---|
| Cosine metric | 0.8006 |
| Dice metric | 0.7813 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+543 more
