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DocumentationIdentifier: MM239420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239420 |
| SMILES |
CCC(C)(C)CCOC=O
|
| InChIKey |
ZNLHYXCUUZLADT-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165720
Similarity: 0.8261
Similarity to MM165720
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402366
Similarity: 0.7808
Similarity to MM402366
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8769 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131534
Similarity: 0.7536
Similarity to MM131534
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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