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DocumentationIdentifier: MM282312
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282312 |
| SMILES |
C=CCC=CC(N)C=CF
|
| InChIKey |
GMUQWWDVOOPEKF-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158099
Similarity: 0.9178
Similarity to MM158099
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282243
Similarity: 0.7882
Similarity to MM282243
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91004
Similarity: 0.7882
Similarity to MM91004
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
