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DocumentationIdentifier: MM235570
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235570 |
| SMILES |
CC(=O)C(C)(C)C#CCF
|
| InChIKey |
SYJQYTYQYDLZNI-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132858
Similarity: 0.785
Similarity to MM132858
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163551
Similarity: 0.7757
Similarity to MM163551
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311812
Similarity: 0.7373
Similarity to MM311812
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8488 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
