Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM42181
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42181 |
| SMILES |
COC(C)(CO)CC#N
|
| InChIKey |
IJRUSWMTBHTVTQ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77933
Similarity: 0.8482
Similarity to MM77933
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61379
Similarity: 0.8051
Similarity to MM61379
| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.892 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77932
Similarity: 0.7917
Similarity to MM77932
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
