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DocumentationIdentifier: MM28490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28490 |
| SMILES |
COCC(C)(F)CO
|
| InChIKey |
IPKINDBMTQNVNA-UHFFFAOYSA-N
|
| MW [Da] |
122.14
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97078
Similarity: 0.75
Similarity to MM97078
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 106.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41839
Similarity: 0.7179
Similarity to MM41839
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239320
Similarity: 0.6747
Similarity to MM239320
| Tanimoto metric | 0.6747 |
|---|---|
| Cosine metric | 0.8214 |
| Dice metric | 0.8058 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
