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DocumentationIdentifier: MM59312
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59312 |
| SMILES |
CC(=O)C(C)(F)CCCO
|
| InChIKey |
XXCWJECBHHDPQI-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132686
Similarity: 0.7615
Similarity to MM132686
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8646 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242151
Similarity: 0.7273
Similarity to MM242151
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.8421 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243834
Similarity: 0.6923
Similarity to MM243834
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8205 |
| Dice metric | 0.8182 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
