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DocumentationIdentifier: MM39431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39431 |
| SMILES |
C#CC(NCC=O)C(C)F
|
| InChIKey |
WWDJQNKLDYXPMD-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392776
Similarity: 0.6948
Similarity to MM392776
| Tanimoto metric | 0.6948 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8199 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56182
Similarity: 0.6407
Similarity to MM56182
| Tanimoto metric | 0.6407 |
|---|---|
| Cosine metric | 0.7815 |
| Dice metric | 0.781 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450060
Similarity: 0.5461
Similarity to MM450060
| Tanimoto metric | 0.5461 |
|---|---|
| Cosine metric | 0.7118 |
| Dice metric | 0.7064 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
