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DocumentationIdentifier: MM244772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244772 |
| SMILES |
CC(O)C(O)CC(O)C=O
|
| InChIKey |
GNTQICZXQYZQNE-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM141649
Similarity: 0.7451
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| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348362
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| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8134 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261512
Similarity: 0.6518
Similarity to MM261512
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7934 |
| Dice metric | 0.7892 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
