Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM232781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232781 |
| SMILES |
CC(C)(O)C=COCC#N
|
| InChIKey |
VEPNYZMUUMFAAC-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131808
Similarity: 0.8235
Similarity to MM131808
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45371
Similarity: 0.7882
Similarity to MM45371
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62487
Similarity: 0.7
Similarity to MM62487
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8235 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
