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DocumentationIdentifier: MM231357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231357 |
| SMILES |
CNCCC(=O)C(C)(F)F
|
| InChIKey |
SEHFATBTKDXMOE-UHFFFAOYSA-N
|
| MW [Da] |
151.16
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162389
Similarity: 0.7667
Similarity to MM162389
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302034
Similarity: 0.6917
Similarity to MM302034
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8178 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM73525
Similarity: 0.6583
Similarity to MM73525
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
