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DocumentationIdentifier: MM305135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305135 |
| SMILES |
CC(F)C(CC#N)OC=O
|
| InChIKey |
MFLWJPKCSVLWGZ-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306696
Similarity: 0.6458
Similarity to MM306696
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7848 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172201
Similarity: 0.6434
Similarity to MM172201
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.783 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179663
Similarity: 0.5643
Similarity to MM179663
| Tanimoto metric | 0.5643 |
|---|---|
| Cosine metric | 0.7309 |
| Dice metric | 0.7215 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
