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DocumentationIdentifier: MM224923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224923 |
| SMILES |
C=CC(=O)CCC(C)(C)F
|
| InChIKey |
ONUWAGDWEVADMR-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144728
Similarity: 0.7714
Similarity to MM144728
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130398
Similarity: 0.7143
Similarity to MM130398
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317052
Similarity: 0.6694
Similarity to MM317052
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.802 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
