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DocumentationIdentifier: MM25268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25268 |
| SMILES |
CC=CC=CF
|
| InChIKey |
DGSSLUGSBNCKBU-UHFFFAOYSA-N
|
| MW [Da] |
86.11
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28158
Similarity: 0.8462
Similarity to MM28158
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 98.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126791
Similarity: 0.7857
Similarity to MM126791
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 116.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23785
Similarity: 0.7273
Similarity to MM23785
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 72.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
