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DocumentationIdentifier: MM156720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156720 |
| SMILES |
CNC=NC(C)COC
|
| InChIKey |
RFDWCLQVQRIDGH-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75335
Similarity: 0.8444
Similarity to MM75335
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90706
Similarity: 0.7755
Similarity to MM90706
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57835
Similarity: 0.6847
Similarity to MM57835
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8128 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
