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DocumentationIdentifier: MM234643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234643 |
| SMILES |
CC(CF)C(C)(C)C(=O)O
|
| InChIKey |
NWAGOEOWQUJOIK-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM225549
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Similarity to MM225549
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.85 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7377 |
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| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.46 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.798 |
| MW: | 130.19 |
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|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.75 |
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|---|---|---|---|---|---|
| AI: | 0
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+241 more
