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DocumentationIdentifier: MM242003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242003 |
| SMILES |
COCC(O)C(C)(O)C=O
|
| InChIKey |
NPASYTHWSQFKSY-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137627
Similarity: 0.781
Similarity to MM137627
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.877 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319922
Similarity: 0.6914
Similarity to MM319922
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8176 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320178
Similarity: 0.6859
Similarity to MM320178
| Tanimoto metric | 0.6859 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8137 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
