Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation4-methoxy-3-oxobutanenitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02664 |
| SMILES |
COCC(=O)CC#N
|
| InChIKey |
YDPDODRZXXZMII-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
23091966
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15864
Similarity: 0.75
Similarity to MM15864
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69593
Similarity: 0.7159
Similarity to MM69593
| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8344 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98070
Similarity: 0.7143
Similarity to MM98070
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 99.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
