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DocumentationIdentifier: MM172698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172698 |
| SMILES |
C=C(C=O)C(O)CCO
|
| InChIKey |
PTSTWZMFYYKUPI-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84730
Similarity: 0.8115
Similarity to MM84730
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.8959 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415245
Similarity: 0.7021
Similarity to MM415245
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172764
Similarity: 0.6726
Similarity to MM172764
| Tanimoto metric | 0.6726 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.8042 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
