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DocumentationIdentifier: MM216621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216621 |
| SMILES |
CCC1NC1CNC=N
|
| InChIKey |
HLXBLEDIQYGICT-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM440003
Similarity: 0.8978
Similarity to MM440003
| Tanimoto metric | 0.8978 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9462 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124787
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Similarity to MM124787
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195483
Similarity: 0.6786
Similarity to MM195483
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8085 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
