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DocumentationIdentifier: MM173333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173333 |
| SMILES |
C=C(CNC)N(C)C=N
|
| InChIKey |
LEAGIJUXMNFFFV-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111939
Similarity: 0.7978
Similarity to MM111939
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94888
Similarity: 0.7946
Similarity to MM94888
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107381
Similarity: 0.6629
Similarity to MM107381
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.7973 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
