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DocumentationIdentifier: MM308020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308020 |
| SMILES |
N=CNCC(O)(CN)CN
|
| InChIKey |
QCHSGYRKQISNJX-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-2.17
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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MM138230
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Similarity to MM138230
| Tanimoto metric | 0.9425 |
|---|---|
| Cosine metric | 0.9708 |
| Dice metric | 0.9704 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM240006
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| Tanimoto metric | 0.8039 |
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| Cosine metric | 0.8926 |
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| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308085
Similarity: 0.7009
Similarity to MM308085
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8241 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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