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DocumentationIdentifier: MM106569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106569 |
| SMILES |
O=COCC=C(F)F
|
| InChIKey |
HQRLSCYQLWQWIV-UHFFFAOYSA-N
|
| MW [Da] |
122.07
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
MM100791
Similarity: 0.7647
Similarity to MM100791
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136193
Similarity: 0.6375
Similarity to MM136193
| Tanimoto metric | 0.6375 |
|---|---|
| Cosine metric | 0.7984 |
| Dice metric | 0.7786 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106567
Similarity: 0.5942
Similarity to MM106567
| Tanimoto metric | 0.5942 |
|---|---|
| Cosine metric | 0.7474 |
| Dice metric | 0.7455 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
