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DocumentationIdentifier: MM171820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171820 |
| SMILES |
CNCC(O)C(N)CN
|
| InChIKey |
FTIFRHRJRJRFQZ-UHFFFAOYSA-N
|
| MW [Da] |
133.2
Automatically obtained from RDkit software. |
| LogP |
-2.15
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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Similarity to MM268336
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108074
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Similarity to MM108074
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8408 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
