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DocumentationIdentifier: MM325418
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325418 |
| SMILES |
C#CC(F)=CNC(=O)CO
|
| InChIKey |
SGTAHZYVQIMNRQ-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146733
Similarity: 0.7829
Similarity to MM146733
| Tanimoto metric | 0.7829 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8783 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146408
Similarity: 0.7752
Similarity to MM146408
| Tanimoto metric | 0.7752 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79506
Similarity: 0.6601
Similarity to MM79506
| Tanimoto metric | 0.6601 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7953 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
