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DocumentationIdentifier: MM51101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51101 |
| SMILES |
CC(=CC=O)C(=O)CO
|
| InChIKey |
ZVRHEHLFYILIDM-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35952
Similarity: 0.8081
Similarity to MM35952
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90764
Similarity: 0.7333
Similarity to MM90764
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8462 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175448
Similarity: 0.7304
Similarity to MM175448
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8442 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
