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DocumentationIdentifier: MM61062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61062 |
| SMILES |
COC(C)(C)C(=O)CCO
|
| InChIKey |
RUBVBRSOBWISBG-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58439
Similarity: 0.7194
Similarity to MM58439
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8368 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242230
Similarity: 0.6646
Similarity to MM242230
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7989 |
| Dice metric | 0.7985 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242304
Similarity: 0.642
Similarity to MM242304
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.7828 |
| Dice metric | 0.782 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
