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DocumentationIdentifier: MM355461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355461 |
| SMILES |
C=CC(N)C(O)C=CCC
|
| InChIKey |
HXURWHAUZGNZAO-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163122
Similarity: 0.7565
Similarity to MM163122
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174039
Similarity: 0.748
Similarity to MM174039
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8558 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270019
Similarity: 0.7333
Similarity to MM270019
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8462 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
