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DocumentationIdentifier: MM244626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244626 |
| SMILES |
CC(CF)CC(O)C(C)C
|
| InChIKey |
YSFDSPBIESKTHI-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141512
Similarity: 0.8571
Similarity to MM141512
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261173
Similarity: 0.8022
Similarity to MM261173
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8905 |
| Dice metric | 0.8902 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325694
Similarity: 0.766
Similarity to MM325694
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8675 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+505 more
