Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM52251
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52251 |
| SMILES |
COC(CC#N)C(N)=O
|
| InChIKey |
LAALWUKDQRYIPH-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75652
Similarity: 0.8182
Similarity to MM75652
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75690
Similarity: 0.7852
Similarity to MM75690
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8797 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377580
Similarity: 0.7358
Similarity to MM377580
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
