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DocumentationIdentifier: MM379721
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379721 |
| SMILES |
C=CN(C=CC)C(=N)CO
|
| InChIKey |
GDNXYSNGOZBNNV-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355859
Similarity: 0.7407
Similarity to MM355859
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8511 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95505
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| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81871
Similarity: 0.7214
Similarity to MM81871
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8382 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
