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DocumentationIdentifier: MM273839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273839 |
| SMILES |
C=CC=C(C#N)CC(=C)F
|
| InChIKey |
PKOUGWAPTXJDIJ-UHFFFAOYSA-N
|
| MW [Da] |
137.16
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150519
Similarity: 0.8361
Similarity to MM150519
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274715
Similarity: 0.695
Similarity to MM274715
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8201 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334909
Similarity: 0.6892
Similarity to MM334909
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8162 |
| Dice metric | 0.816 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
