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DocumentationIdentifier: MM160766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160766 |
| SMILES |
C=C(C(C)O)C(O)CC
|
| InChIKey |
YQOXCUCNNMDSTO-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172339
Similarity: 0.7475
Similarity to MM172339
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8555 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378005
Similarity: 0.7447
Similarity to MM378005
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8537 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298261
Similarity: 0.7097
Similarity to MM298261
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+634 more
