Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM57042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57042 |
| SMILES |
C=COCC(CC=O)NC
|
| InChIKey |
DFXNVJJJCKFBSJ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56180
Similarity: 0.8091
Similarity to MM56180
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198696
Similarity: 0.7545
Similarity to MM198696
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404723
Similarity: 0.6535
Similarity to MM404723
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.7905 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
