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DocumentationIdentifier: MM175461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175461 |
| SMILES |
CCC=C(F)C(=O)CO
|
| InChIKey |
KUHRQQSFCPCXLL-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360561
Similarity: 0.9138
Similarity to MM360561
| Tanimoto metric | 0.9138 |
|---|---|
| Cosine metric | 0.9559 |
| Dice metric | 0.955 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360699
Similarity: 0.8548
Similarity to MM360699
| Tanimoto metric | 0.8548 |
|---|---|
| Cosine metric | 0.9246 |
| Dice metric | 0.9217 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360559
Similarity: 0.848
Similarity to MM360559
| Tanimoto metric | 0.848 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9177 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
