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DocumentationIdentifier: MM174143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174143 |
| SMILES |
CNC(=N)C(C)C=CF
|
| InChIKey |
WNPITNHSTDIZGY-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
1.3
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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MM294625
Similarity: 0.8211
Similarity to MM294625
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9018 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294819
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| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.886 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM418237
Similarity: 0.7266
Similarity to MM418237
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8417 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
