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DocumentationIdentifier: MM57296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57296 |
| SMILES |
C=CCC(C)(O)CC(=O)O
|
| InChIKey |
MDSXLIZFSWPBCJ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220829
Similarity: 0.6857
Similarity to MM220829
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8136 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66216
Similarity: 0.6329
Similarity to MM66216
| Tanimoto metric | 0.6329 |
|---|---|
| Cosine metric | 0.7756 |
| Dice metric | 0.7752 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57351
Similarity: 0.6101
Similarity to MM57351
| Tanimoto metric | 0.6101 |
|---|---|
| Cosine metric | 0.7584 |
| Dice metric | 0.7578 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
