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DocumentationIdentifier: MM221223
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221223 |
| SMILES |
C=CCC(=O)CC(F)(F)F
|
| InChIKey |
LDWRNLQGVKQLRC-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
2.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130144
Similarity: 0.759
Similarity to MM130144
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107356
Similarity: 0.6627
Similarity to MM107356
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.7971 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223226
Similarity: 0.6339
Similarity to MM223226
| Tanimoto metric | 0.6339 |
|---|---|
| Cosine metric | 0.7793 |
| Dice metric | 0.776 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
