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DocumentationIdentifier: MM228940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228940 |
| SMILES |
CCC(O)(CC)CC(C)F
|
| InChIKey |
DVAZSJZMIOUNPH-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130601
Similarity: 0.9184
Similarity to MM130601
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9574 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221656
Similarity: 0.8198
Similarity to MM221656
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.901 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225991
Similarity: 0.75
Similarity to MM225991
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8571 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
