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DocumentationIdentifier: MM292974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292974 |
| SMILES |
C=CNC(=N)C(N)CCC
|
| InChIKey |
GQXSNANKTYFOGZ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.82
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: 0.8154
Similarity to MM173095
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292976
Similarity: 0.6928
Similarity to MM292976
| Tanimoto metric | 0.6928 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8185 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353341
Similarity: 0.6795
Similarity to MM353341
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8092 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
