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DocumentationIdentifier: MM216079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216079 |
| SMILES |
CC#CC#CCNC=N
|
| InChIKey |
IDNICZRHUNTVKA-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
0.21
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 | 0.9623 |
|---|---|
| Cosine metric | 0.981 |
| Dice metric | 0.9808 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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