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DocumentationIdentifier: MM357546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357546 |
| SMILES |
OCC#CC(F)C(O)CF
|
| InChIKey |
LSERTQHYCDBXJA-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM357544
Similarity: 0.7939
Similarity to MM357544
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8851 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357548
Similarity: 0.771
Similarity to MM357548
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8707 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48319
Similarity: 0.7647
Similarity to MM48319
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
