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DocumentationIdentifier: MM235258
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235258 |
| SMILES |
CCC(=CCC(=O)O)OC
|
| InChIKey |
OZCOVPOWWPVIJW-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243503
Similarity: 0.7913
Similarity to MM243503
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201609
Similarity: 0.713
Similarity to MM201609
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8325 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298161
Similarity: 0.6741
Similarity to MM298161
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.8053 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
