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DocumentationIdentifier: MM388272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388272 |
| SMILES |
C=CCC(C#N)OC=CF
|
| InChIKey |
UFDUXRHMWNCAEF-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199535
Similarity: 0.7778
Similarity to MM199535
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88065
Similarity: 0.6563
Similarity to MM88065
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7925 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388274
Similarity: 0.6563
Similarity to MM388274
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7925 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
