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DocumentationIdentifier: MM345940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345940 |
| SMILES |
CCC(C=O)OC=C(F)F
|
| InChIKey |
KLYDGZPDMUYORE-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388160
Similarity: 0.7179
Similarity to MM388160
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8358 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388270
Similarity: 0.6942
Similarity to MM388270
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8195 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146310
Similarity: 0.6939
Similarity to MM146310
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
