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DocumentationIdentifier: MM154846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154846 |
| SMILES |
OCCCOC=C(F)F
|
| InChIKey |
NDVKDPYWNYSMQF-UHFFFAOYSA-N
|
| MW [Da] |
138.11
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106541
Similarity: 0.875
Similarity to MM106541
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125781
Similarity: 0.7857
Similarity to MM125781
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154845
Similarity: 0.7
Similarity to MM154845
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8235 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+756 more
