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DocumentationIdentifier: MM61917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61917 |
| SMILES |
CCC(N)C(OC)C(C)O
|
| InChIKey |
VGVDVOCMMOAGBG-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180958
Similarity: 0.7718
Similarity to MM180958
| Tanimoto metric | 0.7718 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387932
Similarity: 0.7159
Similarity to MM387932
| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8344 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406484
Similarity: 0.6852
Similarity to MM406484
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8166 |
| Dice metric | 0.8132 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
