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DocumentationIdentifier: MM233392
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233392 |
| SMILES |
CC(F)(CC#N)C(=O)CO
|
| InChIKey |
ZGQKSVUVOJMTCX-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137785
Similarity: 0.7342
Similarity to MM137785
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132739
Similarity: 0.6772
Similarity to MM132739
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172526
Similarity: 0.6582
Similarity to MM172526
| Tanimoto metric | 0.6582 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.7939 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
