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DocumentationIdentifier: MM89155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89155 |
| SMILES |
CNC=NC(C)CNC
|
| InChIKey |
SCBGESXEQKNMJB-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86704
Similarity: 0.7386
Similarity to MM86704
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8497 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145431
Similarity: 0.6974
Similarity to MM145431
| Tanimoto metric | 0.6974 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8217 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79629
Similarity: 0.6429
Similarity to MM79629
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7826 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
