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DocumentationIdentifier: MM388092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388092 |
| SMILES |
C#CCC(CN)OC=CF
|
| InChIKey |
CXNWHCWUMIBIRI-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199461
Similarity: 0.7636
Similarity to MM199461
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156810
Similarity: 0.6909
Similarity to MM156810
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8172 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388014
Similarity: 0.6316
Similarity to MM388014
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7743 |
| Dice metric | 0.7742 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
