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DocumentationIdentifier: MM233927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233927 |
| SMILES |
C=CCCC(C)(F)CC=O
|
| InChIKey |
SCFBZWPDRABYIB-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132360
Similarity: 0.7549
Similarity to MM132360
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8603 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226859
Similarity: 0.6912
Similarity to MM226859
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8174 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138203
Similarity: 0.6863
Similarity to MM138203
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.814 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
