Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM43306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43306 |
| SMILES |
C#CC(=O)OC(=C)C#N
|
| InChIKey |
WYTHDLGRIMQLRH-UHFFFAOYSA-N
|
| MW [Da] |
121.1
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264897
Similarity: 0.814
Similarity to MM264897
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80795
Similarity: 0.7343
Similarity to MM80795
| Tanimoto metric | 0.7343 |
|---|---|
| Cosine metric | 0.8569 |
| Dice metric | 0.8468 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104680
Similarity: 0.7143
Similarity to MM104680
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
