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DocumentationIdentifier: MM129829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129829 |
| SMILES |
CC(C)C(C)C(C)(C)F
|
| InChIKey |
NPBWAGSEDHIXBK-UHFFFAOYSA-N
|
| MW [Da] |
132.22
Automatically obtained from RDkit software. |
| LogP |
3.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102537
Similarity: 0.7846
Similarity to MM102537
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 118.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109022
Similarity: 0.7692
Similarity to MM109022
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 118.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308031
Similarity: 0.72
Similarity to MM308031
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8372 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
