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DocumentationIdentifier: MM196722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196722 |
| SMILES |
CCC(C=O)(CO)CF
|
| InChIKey |
AERKRUYPLWEHNP-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111413
Similarity: 0.6277
Similarity to MM111413
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7922 |
| Dice metric | 0.7712 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313471
Similarity: 0.6183
Similarity to MM313471
| Tanimoto metric | 0.6183 |
|---|---|
| Cosine metric | 0.7691 |
| Dice metric | 0.7642 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35106
Similarity: 0.5957
Similarity to MM35106
| Tanimoto metric | 0.5957 |
|---|---|
| Cosine metric | 0.7718 |
| Dice metric | 0.7467 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
