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DocumentationIdentifier: MM126066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126066 |
| SMILES |
C=CC=CCCNC
|
| InChIKey |
HWCRUNXIRWRWKA-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
1.34
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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| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
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| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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| LogP: | 1.73 |
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| LogP: | 2.12 |
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