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DocumentationIdentifier: MM388414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388414 |
| SMILES |
CCC(C(=O)O)C(F)CF
|
| InChIKey |
IZLWELCCMGTSSO-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181004
Similarity: 0.72
Similarity to MM181004
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308115
Similarity: 0.689
Similarity to MM308115
| Tanimoto metric | 0.689 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8159 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306760
Similarity: 0.6629
Similarity to MM306760
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.7976 |
| Dice metric | 0.7973 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
