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DocumentationIdentifier: MM167608
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167608 |
| SMILES |
C=CC(=O)OCC=CF
|
| InChIKey |
YRWVARUFIMDYDB-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157341
Similarity: 0.8571
Similarity to MM157341
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9236 |
| Dice metric | 0.9231 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113397
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| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107630
Similarity: 0.7403
Similarity to MM107630
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8507 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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