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DocumentationIdentifier: MM427426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427426 |
| SMILES |
CCC1CN1C(C)C=O
|
| InChIKey |
NSLQESPZZSDKCQ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
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 | 0.9389 |
|---|---|
| Cosine metric | 0.969 |
| Dice metric | 0.9685 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
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Total active interactions
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MM446085
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|---|---|
| Cosine metric | 0.921 |
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| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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