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DocumentationIdentifier: MM171839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171839 |
| SMILES |
COCC(C)C(F)CF
|
| InChIKey |
KZCBPNLARPCZFQ-UHFFFAOYSA-N
|
| MW [Da] |
138.16
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108078
Similarity: 0.7059
Similarity to MM108078
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179594
Similarity: 0.66
Similarity to MM179594
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7952 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376473
Similarity: 0.6489
Similarity to MM376473
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.787 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
