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DocumentationIdentifier: MM329465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329465 |
| SMILES |
O=CC(CF)OC(=O)CO
|
| InChIKey |
RGFCHYFFBIZMSK-UHFFFAOYSA-N
|
| MW [Da] |
150.11
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150056
Similarity: 0.7823
Similarity to MM150056
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42875
Similarity: 0.7258
Similarity to MM42875
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329467
Similarity: 0.6736
Similarity to MM329467
| Tanimoto metric | 0.6736 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.805 |
| MW: | 152.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
