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DocumentationIdentifier: MM406579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406579 |
| SMILES |
COC(CO)C(O)CC=O
|
| InChIKey |
WNCZRKYOGZPEHS-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171957
Similarity: 0.7759
Similarity to MM171957
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196833
Similarity: 0.7069
Similarity to MM196833
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348402
Similarity: 0.6803
Similarity to MM348402
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8097 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
