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DocumentationIdentifier: MM261636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261636 |
| SMILES |
N#CCC(O)CC(F)C#N
|
| InChIKey |
DFGYAOVVOZXWIT-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261515
Similarity: 0.7295
Similarity to MM261515
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8436 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244767
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| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8411 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM84525
Similarity: 0.7236
Similarity to MM84525
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8396 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
