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DocumentationIdentifier: MM392357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392357 |
| SMILES |
CCC(CCC=O)C(C)F
|
| InChIKey |
QYCKLGUXADVGAP-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304991
Similarity: 0.7604
Similarity to MM304991
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8639 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296647
Similarity: 0.6762
Similarity to MM296647
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8068 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392636
Similarity: 0.6729
Similarity to MM392636
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8045 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
