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DocumentationIdentifier: MM437834
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437834 |
| SMILES |
C=CC(=CCOCC)CN
|
| InChIKey |
YOYUDTSGBURWOH-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM438493
Similarity: 0.7547
Similarity to MM438493
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8602 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387236
Similarity: 0.7364
Similarity to MM387236
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8482 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438499
Similarity: 0.7339
Similarity to MM438499
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8466 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
