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DocumentationIdentifier: MM223884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223884 |
| SMILES |
CCC(O)C(=O)C(C)(F)F
|
| InChIKey |
OFMZZPKXIMFINO-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223886
Similarity: 0.6984
Similarity to MM223886
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.8224 |
| MW: | 156.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223919
Similarity: 0.6287
Similarity to MM223919
| Tanimoto metric | 0.6287 |
|---|---|
| Cosine metric | 0.7725 |
| Dice metric | 0.772 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223885
Similarity: 0.6139
Similarity to MM223885
| Tanimoto metric | 0.6139 |
|---|---|
| Cosine metric | 0.761 |
| Dice metric | 0.7607 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
