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DocumentationIdentifier: MM74082
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74082 |
| SMILES |
COCCC(OC)C(C)N
|
| InChIKey |
VHQAZMWYJMEBOS-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179605
Similarity: 0.8667
Similarity to MM179605
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161963
Similarity: 0.7714
Similarity to MM161963
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375770
Similarity: 0.728
Similarity to MM375770
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8426 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
