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DocumentationIdentifier: MM370081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370081 |
| SMILES |
C=CC(F)=CCOCCO
|
| InChIKey |
JCHBISHSVFNBQZ-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171155
Similarity: 0.869
Similarity to MM171155
| Tanimoto metric | 0.869 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.9299 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370186
Similarity: 0.8391
Similarity to MM370186
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9125 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285026
Similarity: 0.7708
Similarity to MM285026
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8706 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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