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DocumentationIdentifier: MM94888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94888 |
| SMILES |
C=C(CNC)N(C)C=NC
|
| InChIKey |
JCQULSFGENPYCQ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174190
Similarity: 0.8304
Similarity to MM174190
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173333
Similarity: 0.7946
Similarity to MM173333
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237231
Similarity: 0.6975
Similarity to MM237231
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8218 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
