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DocumentationIdentifier: MM381281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381281 |
| SMILES |
O=COCC(=CCO)CO
|
| InChIKey |
FOTGGQAQQIJVEW-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47071
Similarity: 0.7978
Similarity to MM47071
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178805
Similarity: 0.7303
Similarity to MM178805
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75139
Similarity: 0.7065
Similarity to MM75139
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.828 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
