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DocumentationIdentifier: MM15807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15807 |
| SMILES |
C=COC(C(C)=O)C(C)=O
|
| InChIKey |
RKBHWNPDLIXFPK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15806
Similarity: 0.8378
Similarity to MM15806
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179889
Similarity: 0.8378
Similarity to MM179889
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-ethoxypentane-2,4-dione
Similarity: 0.6439
Similarity to 3-ethoxypentane-2,4-dione
| Tanimoto metric | 0.6439 |
|---|---|
| Cosine metric | 0.7836 |
| Dice metric | 0.7834 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
