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DocumentationIdentifier: MM295943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295943 |
| SMILES |
CC(=CC=O)C(O)CCO
|
| InChIKey |
WIHPFLLRADBIJD-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175169
Similarity: 0.8136
Similarity to MM175169
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95988
Similarity: 0.7482
Similarity to MM95988
| Tanimoto metric | 0.7482 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.856 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295843
Similarity: 0.6458
Similarity to MM295843
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7848 |
| Dice metric | 0.7848 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
