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DocumentationIdentifier: MM411342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411342 |
| SMILES |
CCC(=CF)OCCOC
|
| InChIKey |
OBCFTDVTQWQYEL-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM341918
Similarity: 0.7073
Similarity to MM341918
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.8286 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167807
Similarity: 0.7041
Similarity to MM167807
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8263 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88439
Similarity: 0.6992
Similarity to MM88439
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.823 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
