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DocumentationIdentifier: MM411882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411882 |
| SMILES |
C=CC(CN)C(C)C=CF
|
| InChIKey |
UWUCOENNDFNCAL-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379141
Similarity: 0.8925
Similarity to MM379141
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9432 |
| Dice metric | 0.9432 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173922
Similarity: 0.8161
Similarity to MM173922
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199495
Similarity: 0.8046
Similarity to MM199495
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+524 more
