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DocumentationIdentifier: MM378697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378697 |
| SMILES |
C=CN(C=CCN)C=NC
|
| InChIKey |
GOTDMWJKYJDAMA-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200790
Similarity: 0.8118
Similarity to MM200790
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378687
Similarity: 0.7582
Similarity to MM378687
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8625 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425714
Similarity: 0.7113
Similarity to MM425714
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8313 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
