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DocumentationIdentifier: MM236045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236045 |
| SMILES |
NC(=O)CCC#CC(F)F
|
| InChIKey |
KLERKHJCTLGVTN-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45163
Similarity: 0.8554
Similarity to MM45163
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154547
Similarity: 0.6988
Similarity to MM154547
| Tanimoto metric | 0.6988 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8227 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33490
Similarity: 0.6627
Similarity to MM33490
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.7971 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
