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DocumentationIdentifier: MM235178
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235178 |
| SMILES |
COCCC(C)(F)C(C)=O
|
| InChIKey |
XUAFPVCJFOGHQV-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40488
Similarity: 0.8029
Similarity to MM40488
| Tanimoto metric | 0.8029 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8907 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301426
Similarity: 0.6174
Similarity to MM301426
| Tanimoto metric | 0.6174 |
|---|---|
| Cosine metric | 0.7707 |
| Dice metric | 0.7635 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233336
Similarity: 0.6145
Similarity to MM233336
| Tanimoto metric | 0.6145 |
|---|---|
| Cosine metric | 0.7623 |
| Dice metric | 0.7612 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
