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DocumentationIdentifier: MM81724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81724 |
| SMILES |
CNCCC(O)C=CF
|
| InChIKey |
KFLCHHQCCDOBTO-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107488
Similarity: 0.7875
Similarity to MM107488
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81746
Similarity: 0.7375
Similarity to MM81746
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85176
Similarity: 0.678
Similarity to MM85176
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8081 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+673 more
