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DocumentationIdentifier: MM292781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292781 |
| SMILES |
C=C(CCO)C(O)CCO
|
| InChIKey |
MDVQCBGQQUPEKB-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172337
Similarity: 0.8557
Similarity to MM172337
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245977
Similarity: 0.6694
Similarity to MM245977
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.8019 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292780
Similarity: 0.664
Similarity to MM292780
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.7999 |
| Dice metric | 0.7981 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+627 more
