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DocumentationIdentifier: MM116393
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116393 |
| SMILES |
CCCC(=NC)NC
|
| InChIKey |
CIVWZPDBRGONRZ-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199767
Similarity: 0.8118
Similarity to MM199767
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150242
Similarity: 0.7931
Similarity to MM150242
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200037
Similarity: 0.7841
Similarity to MM200037
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+743 more
