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DocumentationIdentifier: MM402587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402587 |
| SMILES |
C=CCOCC(CN)NC
|
| InChIKey |
SXMIOWHHCSYDCG-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402159
Similarity: 0.7596
Similarity to MM402159
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8634 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71553
Similarity: 0.7524
Similarity to MM71553
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8587 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165809
Similarity: 0.7216
Similarity to MM165809
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
