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DocumentationIdentifier: MM262395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262395 |
| SMILES |
C=C(CCO)CC(O)CO
|
| InChIKey |
DTPBTRKHGBHNMK-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
MM141937
Similarity: 0.9195
Similarity to MM141937
| Tanimoto metric | 0.9195 |
|---|---|
| Cosine metric | 0.9589 |
| Dice metric | 0.9581 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262393
Similarity: 0.8421
Similarity to MM262393
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9143 |
| Dice metric | 0.9143 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245977
Similarity: 0.7589
Similarity to MM245977
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8629 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+645 more
