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DocumentationIdentifier: MM166412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166412 |
| SMILES |
CCCOCC(=O)CF
|
| InChIKey |
FJKKICVEFSSVCU-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44962
Similarity: 0.8382
Similarity to MM44962
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.912 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365417
Similarity: 0.8049
Similarity to MM365417
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15877
Similarity: 0.7532
Similarity to MM15877
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8593 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
