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DocumentationIdentifier: MM282346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282346 |
| SMILES |
C=CCN=CN(C)C=CC
|
| InChIKey |
YBKCVWRIGRACNJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.67
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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MM169722
Similarity: 0.8101
Similarity to MM169722
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282288
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| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8447 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378709
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Similarity to MM378709
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8447 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
