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DocumentationIdentifier: MM329441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329441 |
| SMILES |
C=CC(CC)OC(=O)CF
|
| InChIKey |
NWHYOWXTBOWHSI-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245699
Similarity: 0.7881
Similarity to MM245699
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8815 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150051
Similarity: 0.7559
Similarity to MM150051
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142292
Similarity: 0.7244
Similarity to MM142292
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8402 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
