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DocumentationIdentifier: MM171173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171173 |
| SMILES |
CCCOC=C(F)C=O
|
| InChIKey |
XEDCCPXRLFRJEB-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370216
Similarity: 0.8925
Similarity to MM370216
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370271
Similarity: 0.8469
Similarity to MM370271
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.9171 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93774
Similarity: 0.8384
Similarity to MM93774
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9121 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
