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DocumentationIdentifier: MM389766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389766 |
| SMILES |
COCC(=CF)OCCO
|
| InChIKey |
KHRYTHWIPHFBAV-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54659
Similarity: 0.798
Similarity to MM54659
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88385
Similarity: 0.7083
Similarity to MM88385
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8293 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199795
Similarity: 0.6887
Similarity to MM199795
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8156 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
