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DocumentationIdentifier: MM135359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135359 |
| SMILES |
CCNC(=N)CC(C)N
|
| InChIKey |
FNHJKCQPEVJBAX-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
0.31
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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MM262445
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| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104440
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| Cosine metric | 0.8805 |
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| MW: | 115.18 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.08 |
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| AI: | 0
Total active interactions
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MM262436
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| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+590 more
