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DocumentationIdentifier: MM274603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274603 |
| SMILES |
N=CNC(=CC(N)=O)CF
|
| InChIKey |
OHMZALACCYDJAP-UHFFFAOYSA-N
|
| MW [Da] |
145.14
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179023
Similarity: 0.6929
Similarity to MM179023
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178959
Similarity: 0.6714
Similarity to MM178959
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.8034 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383125
Similarity: 0.6101
Similarity to MM383125
| Tanimoto metric | 0.6101 |
|---|---|
| Cosine metric | 0.7612 |
| Dice metric | 0.7578 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
