Identifier: MM61751
2D Structure
3D Structure
Source:
General | |
Identifier | MM61751 |
SMILES |
CC(O)C(F)(C=O)CC#N
|
InChIKey |
APLMXSKCLVQMSF-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
MM42259
Similarity: 0.6933
Similarity to MM42259
Tanimoto metric | 0.6933 |
---|---|
Cosine metric | 0.8326 |
Dice metric | 0.8188 |
MW: | 131.11 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM41566
Similarity: 0.6044
Similarity to MM41566
Tanimoto metric | 0.6044 |
---|---|
Cosine metric | 0.7586 |
Dice metric | 0.7534 |
MW: | 131.11 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM61467
Similarity: 0.5758
Similarity to MM61467
Tanimoto metric | 0.5758 |
---|---|
Cosine metric | 0.7315 |
Dice metric | 0.7308 |
MW: | 145.13 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.45 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+72 more