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DocumentationIdentifier: MM291797
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291797 |
| SMILES |
COCCNC(=N)CCO
|
| InChIKey |
COSILLLTEVRBFG-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156138
Similarity: 0.8333
Similarity to MM156138
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364704
Similarity: 0.77
Similarity to MM364704
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8701 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291798
Similarity: 0.7064
Similarity to MM291798
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.828 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+580 more
