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DocumentationIdentifier: MM135739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135739 |
| SMILES |
CC(C=CF)CC(=N)N
|
| InChIKey |
GRWTWAHCBICXRS-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
1.43
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 | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8924 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.82 |
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Similarity to MM272741
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8883 |
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| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.82 |
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|---|---|---|---|---|---|
| AI: | 0
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+250 more
