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DocumentationIdentifier: MM91103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91103 |
| SMILES |
N#CCCOCC(F)C#N
|
| InChIKey |
RAHJTGWCKNXSPC-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165989
Similarity: 0.971
Similarity to MM165989
| Tanimoto metric | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257658
Similarity: 0.9452
Similarity to MM257658
| Tanimoto metric | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36172
Similarity: 0.8696
Similarity to MM36172
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
