Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM350039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350039 |
| SMILES |
C=C(CCCO)C(O)CN
|
| InChIKey |
PCWBUEJUTCUJFH-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172894
Similarity: 0.8571
Similarity to MM172894
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350037
Similarity: 0.8065
Similarity to MM350037
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8929 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350361
Similarity: 0.7385
Similarity to MM350361
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8496 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
