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DocumentationIdentifier: MM379485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379485 |
| SMILES |
CNC(=N)C(C=CF)CO
|
| InChIKey |
OGLQNBNXTCLKDF-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174143
Similarity: 0.6966
Similarity to MM174143
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8211 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379483
Similarity: 0.64
Similarity to MM379483
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.7805 |
| Dice metric | 0.7805 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294625
Similarity: 0.6145
Similarity to MM294625
| Tanimoto metric | 0.6145 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7612 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
