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DocumentationIdentifier: MM137482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137482 |
| SMILES |
CCC(C)(O)C(F)CO
|
| InChIKey |
JWPBJBAYORPETP-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233085
Similarity: 0.8425
Similarity to MM233085
| Tanimoto metric | 0.8425 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9145 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40438
Similarity: 0.7731
Similarity to MM40438
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.872 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233161
Similarity: 0.7181
Similarity to MM233161
| Tanimoto metric | 0.7181 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8359 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
