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DocumentationIdentifier: MM233097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233097 |
| SMILES |
CCCC(C)(F)C(O)CO
|
| InChIKey |
XNWXKUKRGJVPCN-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41473
Similarity: 0.7899
Similarity to MM41473
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8826 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132574
Similarity: 0.7391
Similarity to MM132574
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319562
Similarity: 0.7267
Similarity to MM319562
| Tanimoto metric | 0.7267 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8417 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
