Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM461007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM461007 |
| SMILES |
COCC(=O)C(C#N)C=O
|
| InChIKey |
WCAYIOWVYYNMGU-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53493
Similarity: 0.7805
Similarity to MM53493
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350807
Similarity: 0.6667
Similarity to MM350807
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.8 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242321
Similarity: 0.6458
Similarity to MM242321
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7848 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
