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DocumentationIdentifier: MM113001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113001 |
| SMILES |
CNCCC(=O)CO
|
| InChIKey |
WPUVQBAYSNORQB-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
-0.84
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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MM166595
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| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | -0.06 |
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| AI: | 0
Total active interactions
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MM258126
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| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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