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DocumentationIdentifier: MM317601
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317601 |
| SMILES |
C=CC(F)COC(=C)CO
|
| InChIKey |
NJHAFHKUXKRRBG-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 |
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MM144686
Similarity: 0.7857
Similarity to MM144686
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144470
Similarity: 0.7768
Similarity to MM144470
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316745
Similarity: 0.6929
Similarity to MM316745
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8186 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
