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DocumentationIdentifier: MM132366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132366 |
| SMILES |
CCCC(F)(F)CC=O
|
| InChIKey |
VHBCZTOUEPWTDP-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15754
Similarity: 0.8765
Similarity to MM15754
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130771
Similarity: 0.7701
Similarity to MM130771
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8728 |
| Dice metric | 0.8701 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15701
Similarity: 0.7634
Similarity to MM15701
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
