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DocumentationIdentifier: MM272470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272470 |
| SMILES |
CCCC(C=O)OC(C)=O
|
| InChIKey |
KLCJXOPUCJLTHE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150052
Similarity: 0.7739
Similarity to MM150052
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135235
Similarity: 0.713
Similarity to MM135235
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8325 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262727
Similarity: 0.6391
Similarity to MM262727
| Tanimoto metric | 0.6391 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.7798 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
