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DocumentationIdentifier: MM244369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244369 |
| SMILES |
CCC(C)(C(=O)O)C(C)F
|
| InChIKey |
CEIXSZYGYZUKHH-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
MM132914
Similarity: 0.745
Similarity to MM132914
| Tanimoto metric | 0.745 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244370
Similarity: 0.7283
Similarity to MM244370
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8428 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM181004
Similarity: 0.7248
Similarity to MM181004
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8405 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
