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DocumentationIdentifier: MM87333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87333 |
| SMILES |
C=CCN(C=N)CC(C)O
|
| InChIKey |
QFWXSLQMDZAZHN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149780
Similarity: 0.7589
Similarity to MM149780
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177998
Similarity: 0.6696
Similarity to MM177998
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326857
Similarity: 0.625
Similarity to MM326857
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7693 |
| Dice metric | 0.7692 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
