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DocumentationIdentifier: MM349416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349416 |
| SMILES |
C=C(CO)C(C)OCC=O
|
| InChIKey |
ACFBOFMFLPRVRY-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172420
Similarity: 0.7931
Similarity to MM172420
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162320
Similarity: 0.7672
Similarity to MM162320
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8683 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349414
Similarity: 0.7132
Similarity to MM349414
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.8326 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
