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DocumentationIdentifier: MM160478
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160478 |
| SMILES |
C=C(CF)C(C)C(C)=O
|
| InChIKey |
FAGQFHZPDRDYDX-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
MM350030
Similarity: 0.7914
Similarity to MM350030
| Tanimoto metric | 0.7914 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350028
Similarity: 0.7639
Similarity to MM350028
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8661 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350479
Similarity: 0.7534
Similarity to MM350479
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+579 more
