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DocumentationIdentifier: MM245992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245992 |
| SMILES |
CC(CF)CC(=O)C(C)C
|
| InChIKey |
WKTIPNOUFGZKEJ-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262404
Similarity: 0.8242
Similarity to MM262404
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.9036 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328420
Similarity: 0.7742
Similarity to MM328420
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8727 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162385
Similarity: 0.7619
Similarity to MM162385
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
