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DocumentationIdentifier: MM226146
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226146 |
| SMILES |
CCC(C)(O)CC(F)C#N
|
| InChIKey |
QDSAINLOPDVOIM-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130601
Similarity: 0.7031
Similarity to MM130601
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8257 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228940
Similarity: 0.6618
Similarity to MM228940
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.8036 |
| Dice metric | 0.7965 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244767
Similarity: 0.6597
Similarity to MM244767
| Tanimoto metric | 0.6597 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.795 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+189 more
