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DocumentationIdentifier: MM15743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15743 |
| SMILES |
C=C(CC(C)=O)OC=O
|
| InChIKey |
MWTHDEDXPWPGKD-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
MM107454
Similarity: 0.7143
Similarity to MM107454
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107392
Similarity: 0.6813
Similarity to MM107392
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8105 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46073
Similarity: 0.625
Similarity to MM46073
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7715 |
| Dice metric | 0.7692 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
