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DocumentationIdentifier: MM294045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294045 |
| SMILES |
O=C(O)CC(O)CO
|
| InChIKey |
DZAIOXUZHHTJKN-UHFFFAOYSA-N
|
| MW [Da] |
120.1
Automatically obtained from RDkit software. |
| LogP |
-1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275024
Similarity: 0.7442
Similarity to MM275024
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
(r)-3-hydroxybutanoate
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Similarity to (r)-3-hydroxybutanoate
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
MM316607
Similarity: 0.7013
Similarity to MM316607
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8244 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
