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DocumentationIdentifier: MM244066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244066 |
| SMILES |
C=CCC(F)(C=O)C(C)=O
|
| InChIKey |
KVOSFWGTBOAECO-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40516
Similarity: 0.7842
Similarity to MM40516
| Tanimoto metric | 0.7842 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140054
Similarity: 0.705
Similarity to MM140054
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.827 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235338
Similarity: 0.6527
Similarity to MM235338
| Tanimoto metric | 0.6527 |
|---|---|
| Cosine metric | 0.7899 |
| Dice metric | 0.7899 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
