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DocumentationIdentifier: MM47454
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47454 |
| SMILES |
C=C(CO)C(C)N(C)C
|
| InChIKey |
RJDQTYLJTWUHNL-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61951
Similarity: 0.7745
Similarity to MM61951
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68167
Similarity: 0.6667
Similarity to MM68167
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73411
Similarity: 0.625
Similarity to MM73411
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7694 |
| Dice metric | 0.7692 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
