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DocumentationIdentifier: MM150052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150052 |
| SMILES |
CCC(C=O)OC(C)=O
|
| InChIKey |
IYOJOSWOUUPBRK-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275136
Similarity: 0.7807
Similarity to MM275136
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272470
Similarity: 0.7739
Similarity to MM272470
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272471
Similarity: 0.7542
Similarity to MM272471
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8599 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
