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DocumentationIdentifier: MM274113
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274113 |
| SMILES |
CC=CN(C=N)C=C(C)C
|
| InChIKey |
WGHNLVOQIKIOLZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.35
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 | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104811
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| Tanimoto metric | 0.7067 |
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| Cosine metric | 0.8406 |
| Dice metric | 0.8281 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM335917
Similarity: 0.6635
Similarity to MM335917
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.7977 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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