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DocumentationIdentifier: MM165659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165659 |
| SMILES |
CCC(C)CCCC=O
|
| InChIKey |
RRTVBKXBOQHBMV-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 |
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MM291219
Similarity: 0.9535
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| Tanimoto metric | 0.9535 |
|---|---|
| Cosine metric | 0.9765 |
| Dice metric | 0.9762 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402322
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Similarity to MM402322
| Tanimoto metric | 0.9111 |
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| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.79 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155725
Similarity: 0.8222
Similarity to MM155725
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.9024 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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