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DocumentationIdentifier: MM79835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79835 |
| SMILES |
N#CC(F)CC(C#N)C=O
|
| InChIKey |
IVJGCOBNEPCNDJ-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15684
Similarity: 0.8
Similarity to MM15684
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141825
Similarity: 0.7545
Similarity to MM141825
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15682
Similarity: 0.6767
Similarity to MM15682
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8072 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
