Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM337117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337117 |
| SMILES |
CCC(=CC(O)C=O)CO
|
| InChIKey |
IVFDALPHOKTBAQ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM247843
Similarity: 0.816
Similarity to MM247843
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8987 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43476
Similarity: 0.7477
Similarity to MM43476
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66617
Similarity: 0.7153
Similarity to MM66617
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.834 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
