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DocumentationIdentifier: MM389169
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389169 |
| SMILES |
O=CN(C=CF)CC=CF
|
| InChIKey |
LVLNQZVAVIJUSB-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199638
Similarity: 0.8144
Similarity to MM199638
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37801
Similarity: 0.6598
Similarity to MM37801
| Tanimoto metric | 0.6598 |
|---|---|
| Cosine metric | 0.8123 |
| Dice metric | 0.795 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178278
Similarity: 0.6486
Similarity to MM178278
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7869 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
