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DocumentationIdentifier: MM304589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304589 |
| SMILES |
CC(C)C(=N)NC=CC#N
|
| InChIKey |
KLNKGCWPJLGLMI-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM162930
Similarity: 0.83
Similarity to MM162930
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168651
Similarity: 0.82
Similarity to MM168651
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304428
Similarity: 0.7477
Similarity to MM304428
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8557 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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