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DocumentationIdentifier: MM165561
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165561 |
| SMILES |
OCCNCC(O)CO
|
| InChIKey |
WDMIBBXCJKNKPN-UHFFFAOYSA-N
|
| MW [Da] |
135.16
Automatically obtained from RDkit software. |
| LogP |
-2.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112580
Similarity: 0.9
Similarity to MM112580
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144050
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Similarity to MM144050
| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8504 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM69780
Similarity: 0.7397
Similarity to MM69780
| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8504 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
