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DocumentationIdentifier: MM158152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158152 |
| SMILES |
C=CC=CC(N)C=CF
|
| InChIKey |
FLVUVSKIZQXPQD-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282428
Similarity: 0.8718
Similarity to MM282428
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107730
Similarity: 0.8088
Similarity to MM107730
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170116
Similarity: 0.7368
Similarity to MM170116
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8485 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
