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DocumentationIdentifier: MM244753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244753 |
| SMILES |
CC(F)C(C)CC(O)C#N
|
| InChIKey |
PXQJJGKXLHCQNU-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326132
Similarity: 0.8016
Similarity to MM326132
| Tanimoto metric | 0.8016 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8899 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133465
Similarity: 0.7355
Similarity to MM133465
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274922
Similarity: 0.6842
Similarity to MM274922
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.8125 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
