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DocumentationIdentifier: MM328767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328767 |
| SMILES |
CCC(=O)OC(CC)CF
|
| InChIKey |
PFVLBMTVWVGONU-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149957
Similarity: 0.8136
Similarity to MM149957
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328769
Similarity: 0.7727
Similarity to MM328769
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8718 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328783
Similarity: 0.7008
Similarity to MM328783
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8241 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
