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DocumentationIdentifier: MM226141
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226141 |
| SMILES |
CC(C=O)CC(C)(O)CO
|
| InChIKey |
INKCTDSEDGJICN-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141641
Similarity: 0.7308
Similarity to MM141641
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM224161
Similarity: 0.719
Similarity to MM224161
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8365 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130049
Similarity: 0.6923
Similarity to MM130049
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
