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DocumentationIdentifier: MM81281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81281 |
| SMILES |
C=C(C)NC(CNC)=NC
|
| InChIKey |
DGGNWEMTWFZKPB-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150426
Similarity: 0.8268
Similarity to MM150426
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9052 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135533
Similarity: 0.7165
Similarity to MM135533
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89197
Similarity: 0.6741
Similarity to MM89197
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8053 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
