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DocumentationIdentifier: MM74518
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74518 |
| SMILES |
C=C(F)CC(O)C(C)N
|
| InChIKey |
CUQLHIUFBGHMDK-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268461
Similarity: 0.8129
Similarity to MM268461
| Tanimoto metric | 0.8129 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.8968 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268629
Similarity: 0.7338
Similarity to MM268629
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8464 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104288
Similarity: 0.6814
Similarity to MM104288
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8105 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
