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DocumentationIdentifier: MM396709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396709 |
| SMILES |
C=CCN=C(CO)N(C)C
|
| InChIKey |
GCPQYKYKKYVDME-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88842
Similarity: 0.8142
Similarity to MM88842
| Tanimoto metric | 0.8142 |
|---|---|
| Cosine metric | 0.9023 |
| Dice metric | 0.8976 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83775
Similarity: 0.7132
Similarity to MM83775
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8326 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163848
Similarity: 0.6991
Similarity to MM163848
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
