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DocumentationIdentifier: MM225750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225750 |
| SMILES |
C=CC(C)(O)C(=O)C(C)O
|
| InChIKey |
NLMNNCPRLDCEQL-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
MM225749
Similarity: 0.7314
Similarity to MM225749
| Tanimoto metric | 0.7314 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8449 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351520
Similarity: 0.6743
Similarity to MM351520
| Tanimoto metric | 0.6743 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8055 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223911
Similarity: 0.661
Similarity to MM223911
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.8013 |
| Dice metric | 0.7959 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
