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DocumentationIdentifier: MM50031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50031 |
| SMILES |
C=CC(O)C(C)OC=O
|
| InChIKey |
HZAPAFCZPAAQJL-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268608
Similarity: 0.6934
Similarity to MM268608
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376840
Similarity: 0.6786
Similarity to MM376840
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8085 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376288
Similarity: 0.6738
Similarity to MM376288
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8051 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
