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DocumentationIdentifier: MM137886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137886 |
| SMILES |
C=CC(C)(C)C(=O)CF
|
| InChIKey |
JDTPIXJAYLJMBX-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15605
Similarity: 0.7556
Similarity to MM15605
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225744
Similarity: 0.6716
Similarity to MM225744
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8036 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28723
Similarity: 0.6556
Similarity to MM28723
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.7919 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
