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DocumentationIdentifier: MM235997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235997 |
| SMILES |
C=C(C)OCC(C)C(=O)O
|
| InChIKey |
JXUHXEQTKCBEDO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236004
Similarity: 0.7155
Similarity to MM236004
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8342 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242498
Similarity: 0.7009
Similarity to MM242498
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8242 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286636
Similarity: 0.6452
Similarity to MM286636
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7843 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
