Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM329729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329729 |
| SMILES |
C=CC(=O)NC(C=C)CO
|
| InChIKey |
ILEMBXHYJBEXSR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142148
Similarity: 0.75
Similarity to MM142148
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328978
Similarity: 0.6923
Similarity to MM328978
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8182 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329333
Similarity: 0.6849
Similarity to MM329333
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.813 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
