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DocumentationIdentifier: MM381162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381162 |
| SMILES |
C=CN(C)C(CCC)=NC
|
| InChIKey |
FNPHDURVEMQAMT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.89
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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MM173304
Similarity: 0.7197
Similarity to MM173304
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351441
Similarity: 0.6735
Similarity to MM351441
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.807 |
| Dice metric | 0.8049 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM381348
Similarity: 0.6624
Similarity to MM381348
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7969 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
