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DocumentationIdentifier: MM85548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85548 |
| SMILES |
CC(=C(F)F)C(C)CN
|
| InChIKey |
SRUMKJCMJRBURB-UHFFFAOYSA-N
|
| MW [Da] |
135.16
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85431
Similarity: 0.7614
Similarity to MM85431
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300962
Similarity: 0.7586
Similarity to MM300962
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 149.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM391204
Similarity: 0.7213
Similarity to MM391204
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
