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DocumentationIdentifier: MM292976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292976 |
| SMILES |
C=CNC(=N)C(N)CCN
|
| InChIKey |
VYFQWIJTGBZXLP-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173095
Similarity: 0.8217
Similarity to MM173095
| Tanimoto metric | 0.8217 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9021 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172373
Similarity: 0.7674
Similarity to MM172373
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292974
Similarity: 0.6928
Similarity to MM292974
| Tanimoto metric | 0.6928 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8185 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
