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DocumentationIdentifier: MM146408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146408 |
| SMILES |
CC(F)=CNC(=O)CO
|
| InChIKey |
CTQPNRIBILELPF-UHFFFAOYSA-N
|
| MW [Da] |
133.12
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325079
Similarity: 0.8065
Similarity to MM325079
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 149.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79506
Similarity: 0.8
Similarity to MM79506
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325418
Similarity: 0.7752
Similarity to MM325418
| Tanimoto metric | 0.7752 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+499 more
