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DocumentationIdentifier: MM392223
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392223 |
| SMILES |
CNCCC(CF)C(C)C
|
| InChIKey |
JTHLNQXBRKBEEM-UHFFFAOYSA-N
|
| MW [Da] |
147.24
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198512
Similarity: 0.7857
Similarity to MM198512
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86060
Similarity: 0.7619
Similarity to MM86060
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385748
Similarity: 0.6869
Similarity to MM385748
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8144 |
| MW: | 151.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
