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DocumentationIdentifier: MM351504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351504 |
| SMILES |
C=C(C(C)C=O)C(O)C=O
|
| InChIKey |
BNVGTNYRBHRRHK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
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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MM47497
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| Tanimoto metric | 0.8045 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8917 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223908
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| Tanimoto metric | 0.7208 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8377 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173394
Similarity: 0.6767
Similarity to MM173394
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8072 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
