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DocumentationIdentifier: MM385950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385950 |
| SMILES |
C#CC(C)NC(C=O)CF
|
| InChIKey |
YSSQCHZKEKUZBG-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98555
Similarity: 0.633
Similarity to MM98555
| Tanimoto metric | 0.633 |
|---|---|
| Cosine metric | 0.7837 |
| Dice metric | 0.7753 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34630
Similarity: 0.6195
Similarity to MM34630
| Tanimoto metric | 0.6195 |
|---|---|
| Cosine metric | 0.7701 |
| Dice metric | 0.765 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39342
Similarity: 0.5503
Similarity to MM39342
| Tanimoto metric | 0.5503 |
|---|---|
| Cosine metric | 0.7149 |
| Dice metric | 0.71 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
