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DocumentationIdentifier: MM307727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307727 |
| SMILES |
CNCCC(N)(CO)CO
|
| InChIKey |
QEVHWQQHORWXKX-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.72
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 | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7615 |
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| Cosine metric | 0.8646 |
| Dice metric | 0.8646 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239401
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Similarity to MM239401
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8384 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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