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DocumentationIdentifier: MM172320
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172320 |
| SMILES |
CCCC(C)C(=O)CC
|
| InChIKey |
MVLRILUUXLBENA-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172906
Similarity: 0.8889
Similarity to MM172906
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9412 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348785
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| Tanimoto metric | 0.8592 |
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| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268645
Similarity: 0.8243
Similarity to MM268645
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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