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DocumentationIdentifier: MM254984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254984 |
| SMILES |
CC(=O)CCC(=O)C(C)C
|
| InChIKey |
GQOZVBVPTAONFU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162484
Similarity: 0.8358
Similarity to MM162484
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302010
Similarity: 0.8261
Similarity to MM302010
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9048 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162383
Similarity: 0.791
Similarity to MM162383
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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