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DocumentationIdentifier: MM304428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304428 |
| SMILES |
CCC=CNC(=N)C(C)C
|
| InChIKey |
UXLMYZWPWGZVAH-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.13
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: 0.883
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| Tanimoto metric | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168502
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| Tanimoto metric | 0.8085 |
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| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
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|---|---|---|---|---|---|
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Total active interactions
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MM231478
Similarity: 0.7757
Similarity to MM231478
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8737 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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