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DocumentationIdentifier: MM402159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402159 |
| SMILES |
CNC(CN)COCCN
|
| InChIKey |
FSNACKJWCCFDKW-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-1.49
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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MM71553
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Similarity to MM71553
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9249 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7745 |
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| Cosine metric | 0.874 |
| Dice metric | 0.8729 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402587
Similarity: 0.7596
Similarity to MM402587
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8634 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
