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DocumentationIdentifier: MM354655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354655 |
| SMILES |
CCCCC(=O)C(C)=CF
|
| InChIKey |
CGZLNJIYVOFGEH-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174858
Similarity: 0.8716
Similarity to MM174858
| Tanimoto metric | 0.8716 |
|---|---|
| Cosine metric | 0.9336 |
| Dice metric | 0.9314 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354746
Similarity: 0.825
Similarity to MM354746
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.9041 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416074
Similarity: 0.8049
Similarity to MM416074
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8919 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
