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DocumentationIdentifier: MM364951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364951 |
| SMILES |
CCC(=O)CCCOC=O
|
| InChIKey |
LLHGFNDTHCDFFB-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
MM166340
Similarity: 0.8133
Similarity to MM166340
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291728
Similarity: 0.7349
Similarity to MM291728
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8472 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364953
Similarity: 0.7191
Similarity to MM364953
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.8368 |
| Dice metric | 0.8366 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
