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DocumentationIdentifier: MM239058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239058 |
| SMILES |
C#CC(C)(F)C(C=O)OC
|
| InChIKey |
DITVUXHTXZVWFF-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41604
Similarity: 0.7143
Similarity to MM41604
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53273
Similarity: 0.6648
Similarity to MM53273
| Tanimoto metric | 0.6648 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.7987 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306807
Similarity: 0.6533
Similarity to MM306807
| Tanimoto metric | 0.6533 |
|---|---|
| Cosine metric | 0.7948 |
| Dice metric | 0.7903 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
