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DocumentationIdentifier: MM273587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273587 |
| SMILES |
CC(=N)NC(=CCO)CO
|
| InChIKey |
YYQCGSJKVNHYFZ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.56
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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MM265862
Similarity: 0.723
Similarity to MM265862
| Tanimoto metric | 0.723 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8392 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86600
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| Tanimoto metric | 0.6947 |
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| Cosine metric | 0.8335 |
| Dice metric | 0.8198 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM273698
Similarity: 0.6815
Similarity to MM273698
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8106 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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