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DocumentationIdentifier: MM273231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273231 |
| SMILES |
C=C(C)OC(=CF)CC=O
|
| InChIKey |
FPUIXFGPQZNJMW-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334827
Similarity: 0.697
Similarity to MM334827
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8214 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88439
Similarity: 0.6525
Similarity to MM88439
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7897 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143145
Similarity: 0.6406
Similarity to MM143145
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.781 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
