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DocumentationIdentifier: MM157342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157342 |
| SMILES |
O=CCOC(=O)C=CF
|
| InChIKey |
QQKRBXYOLPOXGX-UHFFFAOYSA-N
|
| MW [Da] |
132.09
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107630
Similarity: 0.8025
Similarity to MM107630
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-oxoethyl Prop-2-enoate
Similarity: 0.7284
Similarity to 2-oxoethyl Prop-2-enoate
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157341
Similarity: 0.7222
Similarity to MM157341
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8387 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
