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DocumentationIdentifier: MM235523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235523 |
| SMILES |
CCC#CC(C)(F)C(C)C
|
| InChIKey |
WFSQVPFIRMFYEC-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132853
Similarity: 0.8763
Similarity to MM132853
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138996
Similarity: 0.7938
Similarity to MM138996
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235526
Similarity: 0.7768
Similarity to MM235526
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8746 |
| Dice metric | 0.8744 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+591 more
