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DocumentationIdentifier: MM305512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305512 |
| SMILES |
C#CC#CCC(=N)N(C)C
|
| InChIKey |
SOCDAXGHXDYFND-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163095
Similarity: 0.8495
Similarity to MM163095
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169271
Similarity: 0.8065
Similarity to MM169271
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305451
Similarity: 0.7822
Similarity to MM305451
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8778 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
