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DocumentationIdentifier: MM392636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392636 |
| SMILES |
CC(F)C(C=O)CCC=O
|
| InChIKey |
NUTHXDUSYNPYHA-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392533
Similarity: 0.789
Similarity to MM392533
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8821 |
| Dice metric | 0.8821 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392535
Similarity: 0.789
Similarity to MM392535
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8821 |
| Dice metric | 0.8821 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274972
Similarity: 0.75
Similarity to MM274972
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8571 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
