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DocumentationIdentifier: MM388014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388014 |
| SMILES |
C=CCC(CN)OC=CF
|
| InChIKey |
KJZIZWCYRNPUBG-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199461
Similarity: 0.785
Similarity to MM199461
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345824
Similarity: 0.6885
Similarity to MM345824
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8155 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM388092
Similarity: 0.6316
Similarity to MM388092
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7743 |
| Dice metric | 0.7742 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
