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DocumentationIdentifier: MM349007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349007 |
| SMILES |
CNC(=N)C(C)OCCO
|
| InChIKey |
GYYLNBCTBBTANY-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
MM172421
Similarity: 0.856
Similarity to MM172421
| Tanimoto metric | 0.856 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349005
Similarity: 0.7754
Similarity to MM349005
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8735 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349002
Similarity: 0.7552
Similarity to MM349002
| Tanimoto metric | 0.7552 |
|---|---|
| Cosine metric | 0.8606 |
| Dice metric | 0.8606 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
