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DocumentationIdentifier: MM221119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221119 |
| SMILES |
CC(C)(O)CC(F)CC=O
|
| InChIKey |
OYJBVAJTVJHNGU-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221081
Similarity: 0.6748
Similarity to MM221081
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8083 |
| Dice metric | 0.8058 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222499
Similarity: 0.6667
Similarity to MM222499
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8013 |
| Dice metric | 0.8 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261368
Similarity: 0.6641
Similarity to MM261368
| Tanimoto metric | 0.6641 |
|---|---|
| Cosine metric | 0.7988 |
| Dice metric | 0.7981 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
