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DocumentationIdentifier: MM243104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243104 |
| SMILES |
C#CCC(C)(CF)NC=O
|
| InChIKey |
VYXLUTXCLGCNFZ-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139292
Similarity: 0.7244
Similarity to MM139292
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8402 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51248
Similarity: 0.7087
Similarity to MM51248
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298815
Similarity: 0.622
Similarity to MM298815
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.7887 |
| Dice metric | 0.767 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
