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DocumentationIdentifier: MM378245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378245 |
| SMILES |
C=C(CCCF)C(O)CC
|
| InChIKey |
PTQFEXRQNKUIAK-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352786
Similarity: 0.8687
Similarity to MM352786
| Tanimoto metric | 0.8687 |
|---|---|
| Cosine metric | 0.932 |
| Dice metric | 0.9297 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378005
Similarity: 0.7677
Similarity to MM378005
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352994
Similarity: 0.7414
Similarity to MM352994
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8515 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+710 more
