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DocumentationIdentifier: MM144849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144849 |
| SMILES |
C=C(CC)CNC(C)=N
|
| InChIKey |
XROGUDFGDUYPET-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.54
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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MM251067
Similarity: 0.8462
Similarity to MM251067
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251066
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| Tanimoto metric | 0.8381 |
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| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM318730
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Similarity to MM318730
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
