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DocumentationIdentifier: MM321895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321895 |
| SMILES |
C=C(C=CN(C)C=N)CO
|
| InChIKey |
HJUHRYDPRZYICY-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.59
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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MM169885
Similarity: 0.7647
Similarity to MM169885
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145619
Similarity: 0.7451
Similarity to MM145619
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96046
Similarity: 0.6842
Similarity to MM96046
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8125 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
