Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM61019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61019 |
| SMILES |
COCC(O)C(C)(C)C#N
|
| InChIKey |
YZJBQXYKCLOKJX-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50003
Similarity: 0.7818
Similarity to MM50003
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137612
Similarity: 0.7818
Similarity to MM137612
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76692
Similarity: 0.6825
Similarity to MM76692
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.8113 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
