Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM50752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50752 |
| SMILES |
CC#CC(=N)NCC=O
|
| InChIKey |
RDDCTZKFSTXETR-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50000
Similarity: 0.8283
Similarity to MM50000
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26443
Similarity: 0.82
Similarity to MM26443
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113443
Similarity: 0.7805
Similarity to MM113443
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
