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DocumentationIdentifier: MM221690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221690 |
| SMILES |
COCC(C)(F)CC(C)O
|
| InChIKey |
URXYBTASWVPAHK-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40050
Similarity: 0.7557
Similarity to MM40050
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226061
Similarity: 0.7467
Similarity to MM226061
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.855 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228954
Similarity: 0.6781
Similarity to MM228954
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8101 |
| Dice metric | 0.8082 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
