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DocumentationIdentifier: MM166369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166369 |
| SMILES |
CCOCCC(=O)CF
|
| InChIKey |
JTTBXZASOMWWEI-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364531
Similarity: 0.9487
Similarity to MM364531
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364533
Similarity: 0.8706
Similarity to MM364533
| Tanimoto metric | 0.8706 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9308 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36301
Similarity: 0.8378
Similarity to MM36301
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
