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DocumentationIdentifier: MM178959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178959 |
| SMILES |
N=CNC(=CCN)CF
|
| InChIKey |
FQITWYVGLNAQHP-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274600
Similarity: 0.6861
Similarity to MM274600
| Tanimoto metric | 0.6861 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8139 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274603
Similarity: 0.6714
Similarity to MM274603
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.8034 |
| MW: | 145.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107883
Similarity: 0.6702
Similarity to MM107883
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8025 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
