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DocumentationIdentifier: MM239049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239049 |
| SMILES |
C#CC(C)(C)C(C=O)CF
|
| InChIKey |
PLWFQUHKGMXLCH-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197015
Similarity: 0.7885
Similarity to MM197015
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320005
Similarity: 0.7398
Similarity to MM320005
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8505 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413300
Similarity: 0.6748
Similarity to MM413300
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8058 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
