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DocumentationIdentifier: MM326612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326612 |
| SMILES |
CCC(O)CC(C=O)CF
|
| InChIKey |
YQMAFKYQZSPWQB-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149743
Similarity: 0.8036
Similarity to MM149743
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64634
Similarity: 0.7049
Similarity to MM64634
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8269 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326616
Similarity: 0.6767
Similarity to MM326616
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8072 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
