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DocumentationIdentifier: MM67951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67951 |
| SMILES |
C=CNC=NC(C)(C)CO
|
| InChIKey |
JDXLIKCEPWVCOC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169561
Similarity: 0.8068
Similarity to MM169561
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91671
Similarity: 0.7374
Similarity to MM91671
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8488 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90706
Similarity: 0.6757
Similarity to MM90706
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8065 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
