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DocumentationIdentifier: MM42347
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42347 |
| SMILES |
CNC(C#N)C=CF
|
| InChIKey |
KNQDNRZHIXKOKW-UHFFFAOYSA-N
|
| MW [Da] |
114.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178233
Similarity: 0.814
Similarity to MM178233
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43700
Similarity: 0.6857
Similarity to MM43700
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8136 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139708
Similarity: 0.6796
Similarity to MM139708
| Tanimoto metric | 0.6796 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8092 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
