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DocumentationIdentifier: MM172120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172120 |
| SMILES |
CCCC(C)N(C)C=N
|
| InChIKey |
MLZVDFXQWZWWTG-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111587
Similarity: 0.7436
Similarity to MM111587
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107212
Similarity: 0.6795
Similarity to MM107212
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8092 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112811
Similarity: 0.6282
Similarity to MM112811
| Tanimoto metric | 0.6282 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7717 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
