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DocumentationIdentifier: MM56723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56723 |
| SMILES |
CC=CN=CNCC#N
|
| InChIKey |
QVESMLDSWRRKGP-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.66
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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MM453053
Similarity: 0.8592
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| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM290458
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| Tanimoto metric | 0.8472 |
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| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452773
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| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
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| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+115 more
