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DocumentationIdentifier: MM402867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402867 |
| SMILES |
CCOCCC(C=O)CF
|
| InChIKey |
NSCFDYOEEYOTFO-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403297
Similarity: 0.7404
Similarity to MM403297
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8508 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308444
Similarity: 0.7091
Similarity to MM308444
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8298 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37525
Similarity: 0.6818
Similarity to MM37525
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
