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DocumentationIdentifier: MM327024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327024 |
| SMILES |
CCC(C=O)CC(F)C#N
|
| InChIKey |
MVYDSSJGXRKCBH-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245355
Similarity: 0.7984
Similarity to MM245355
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8879 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141825
Similarity: 0.7615
Similarity to MM141825
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261629
Similarity: 0.6992
Similarity to MM261629
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8237 |
| Dice metric | 0.823 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
