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DocumentationIdentifier: MM292780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292780 |
| SMILES |
C=C(CCO)C(O)CCN
|
| InChIKey |
JAZRZTVFBWUMEI-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74543
Similarity: 0.7928
Similarity to MM74543
| Tanimoto metric | 0.7928 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8844 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292779
Similarity: 0.748
Similarity to MM292779
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8558 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292781
Similarity: 0.664
Similarity to MM292781
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.7999 |
| Dice metric | 0.7981 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+526 more
