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DocumentationIdentifier: MM301157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301157 |
| SMILES |
C=COCCC(O)C(C)O
|
| InChIKey |
YWWHEJCQEIKLBL-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161964
Similarity: 0.7889
Similarity to MM161964
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165733
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| Tanimoto metric | 0.7111 |
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| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM361845
Similarity: 0.703
Similarity to MM361845
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8256 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
