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DocumentationIdentifier: MM142016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142016 |
| SMILES |
C=C(CC(F)CO)OC
|
| InChIKey |
NSYYKQGSVMCOQL-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104460
Similarity: 0.7684
Similarity to MM104460
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331702
Similarity: 0.7197
Similarity to MM331702
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226751
Similarity: 0.7143
Similarity to MM226751
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
