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DocumentationIdentifier: MM52848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52848 |
| SMILES |
CC(C)=C(C=O)OC=O
|
| InChIKey |
JFXVBIWQAKWAFI-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM276305
Similarity: 0.7121
Similarity to MM276305
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8319 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34863
Similarity: 0.6915
Similarity to MM34863
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52006
Similarity: 0.6102
Similarity to MM52006
| Tanimoto metric | 0.6102 |
|---|---|
| Cosine metric | 0.7579 |
| Dice metric | 0.7579 |
| MW: | 125.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
