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DocumentationIdentifier: MM383618
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383618 |
| SMILES |
C=CC(O)C(C#N)=CCF
|
| InChIKey |
PYRYCLZTODFKTI-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52674
Similarity: 0.75
Similarity to MM52674
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383718
Similarity: 0.6364
Similarity to MM383718
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7778 |
| Dice metric | 0.7778 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299501
Similarity: 0.5931
Similarity to MM299501
| Tanimoto metric | 0.5931 |
|---|---|
| Cosine metric | 0.7495 |
| Dice metric | 0.7446 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
