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DocumentationIdentifier: MM215413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215413 |
| SMILES |
CN=CNC=CC=CF
|
| InChIKey |
UABZBYLWFOKAMU-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM126742
Similarity: 0.8305
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| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7627 |
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| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282438
Similarity: 0.7195
Similarity to MM282438
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8369 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
