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DocumentationIdentifier: MM353428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353428 |
| SMILES |
C=C(C#N)C(O)C(F)=CF
|
| InChIKey |
WRCRPZHIXMVMKW-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM299501
Similarity: 0.6154
Similarity to MM299501
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.762 |
| Dice metric | 0.7619 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353213
Similarity: 0.6132
Similarity to MM353213
| Tanimoto metric | 0.6132 |
|---|---|
| Cosine metric | 0.7606 |
| Dice metric | 0.7602 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353473
Similarity: 0.5856
Similarity to MM353473
| Tanimoto metric | 0.5856 |
|---|---|
| Cosine metric | 0.7386 |
| Dice metric | 0.7386 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
