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DocumentationIdentifier: MM296826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296826 |
| SMILES |
C=C(C)C(O)C(C)CCO
|
| InChIKey |
QRNKCMINLQCPLG-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245177
Similarity: 0.7185
Similarity to MM245177
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8362 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408905
Similarity: 0.6643
Similarity to MM408905
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7983 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162137
Similarity: 0.6311
Similarity to MM162137
| Tanimoto metric | 0.6311 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7739 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
