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DocumentationIdentifier: MM348553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348553 |
| SMILES |
C=COCC(F)C(O)C=O
|
| InChIKey |
VETDIBGKWVMNAJ-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406761
Similarity: 0.6667
Similarity to MM406761
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155950
Similarity: 0.6484
Similarity to MM155950
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.7867 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376564
Similarity: 0.6446
Similarity to MM376564
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7839 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
