Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM83302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83302 |
| SMILES |
C=COCC(=O)OCC#N
|
| InChIKey |
CHJZGOKXYFYXGK-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156277
Similarity: 0.8202
Similarity to MM156277
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45939
Similarity: 0.7978
Similarity to MM45939
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355984
Similarity: 0.6887
Similarity to MM355984
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8156 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
