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DocumentationIdentifier: MM246510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246510 |
| SMILES |
C=C(C#N)NC(=O)C(C)F
|
| InChIKey |
DCQHCHSFZFVCEM-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43189
Similarity: 0.6708
Similarity to MM43189
| Tanimoto metric | 0.6708 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.803 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142728
Similarity: 0.6584
Similarity to MM142728
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM246509
Similarity: 0.6237
Similarity to MM246509
| Tanimoto metric | 0.6237 |
|---|---|
| Cosine metric | 0.7684 |
| Dice metric | 0.7683 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
