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DocumentationIdentifier: MM244658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244658 |
| SMILES |
CC(C)C(F)CC(O)CO
|
| InChIKey |
KQLJRKVCFCTBSC-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133498
Similarity: 0.7767
Similarity to MM133498
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.8743 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261209
Similarity: 0.7117
Similarity to MM261209
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8316 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161943
Similarity: 0.6214
Similarity to MM161943
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7665 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
