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DocumentationIdentifier: MM325798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325798 |
| SMILES |
C#CC(=O)NC=C(F)CC
|
| InChIKey |
KJAYEJNPHSRUPH-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146491
Similarity: 0.7891
Similarity to MM146491
| Tanimoto metric | 0.7891 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146644
Similarity: 0.7656
Similarity to MM146644
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253623
Similarity: 0.7123
Similarity to MM253623
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.832 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
