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DocumentationIdentifier: MM40488
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40488 |
| SMILES |
CC(=O)C(C)(F)CCO
|
| InChIKey |
HMVGUBZTRQSRGJ-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235178
Similarity: 0.8029
Similarity to MM235178
| Tanimoto metric | 0.8029 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8907 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137785
Similarity: 0.7385
Similarity to MM137785
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8499 |
| Dice metric | 0.8496 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233336
Similarity: 0.7237
Similarity to MM233336
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8397 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
