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DocumentationIdentifier: MM93862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93862 |
| SMILES |
CCN=C(CO)NCC
|
| InChIKey |
HLWPRKMSFBPWBU-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.01
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 | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7944 |
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| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM70324
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Similarity to MM70324
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
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| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
