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DocumentationIdentifier: MM268444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268444 |
| SMILES |
CCC(F)C(C)CC(=O)O
|
| InChIKey |
QMPWZXSLSQZORM-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133544
Similarity: 0.792
Similarity to MM133544
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275034
Similarity: 0.7481
Similarity to MM275034
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8559 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272216
Similarity: 0.7007
Similarity to MM272216
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.824 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
