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DocumentationIdentifier: MM245403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245403 |
| SMILES |
CC(=O)C(F)CC(O)C#N
|
| InChIKey |
GWUNSKCGQNGABE-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
MM245207
Similarity: 0.6358
Similarity to MM245207
| Tanimoto metric | 0.6358 |
|---|---|
| Cosine metric | 0.7783 |
| Dice metric | 0.7774 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268663
Similarity: 0.6335
Similarity to MM268663
| Tanimoto metric | 0.6335 |
|---|---|
| Cosine metric | 0.7769 |
| Dice metric | 0.7757 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268664
Similarity: 0.6108
Similarity to MM268664
| Tanimoto metric | 0.6108 |
|---|---|
| Cosine metric | 0.7588 |
| Dice metric | 0.7584 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
