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DocumentationIdentifier: MM299501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299501 |
| SMILES |
C=C(F)C(O)C(C#N)=CC
|
| InChIKey |
WQDZQIACOBJPOM-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353428
Similarity: 0.6154
Similarity to MM353428
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.762 |
| Dice metric | 0.7619 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383618
Similarity: 0.5931
Similarity to MM383618
| Tanimoto metric | 0.5931 |
|---|---|
| Cosine metric | 0.7495 |
| Dice metric | 0.7446 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150519
Similarity: 0.5635
Similarity to MM150519
| Tanimoto metric | 0.5635 |
|---|---|
| Cosine metric | 0.7507 |
| Dice metric | 0.7208 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
