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DocumentationIdentifier: MM229014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229014 |
| SMILES |
CC(C)CC(C)(C=O)CF
|
| InChIKey |
GDYXKSBPIPXLMR-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
MM139335
Similarity: 0.8621
Similarity to MM139335
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308344
Similarity: 0.8021
Similarity to MM308344
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8902 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226314
Similarity: 0.7527
Similarity to MM226314
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8589 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
