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DocumentationIdentifier: MM235627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235627 |
| SMILES |
CC(=O)C(C)(F)C#CC#N
|
| InChIKey |
QVBLRYGETUDNBL-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132869
Similarity: 0.8
Similarity to MM132869
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235598
Similarity: 0.6977
Similarity to MM235598
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8219 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235642
Similarity: 0.678
Similarity to MM235642
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8081 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
