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DocumentationIdentifier: MM135602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135602 |
| SMILES |
C=CNC(=N)CC(=C)F
|
| InChIKey |
UYFREEQPBMIJLL-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM237251
Similarity: 0.8595
Similarity to MM237251
| Tanimoto metric | 0.8595 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9244 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265142
Similarity: 0.7761
Similarity to MM265142
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133923
Similarity: 0.6504
Similarity to MM133923
| Tanimoto metric | 0.6504 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7882 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
