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DocumentationIdentifier: MM114470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114470 |
| SMILES |
NCC#CC(F)CO
|
| InChIKey |
MDHGBEWFJCBRII-UHFFFAOYSA-N
|
| MW [Da] |
117.12
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46817
Similarity: 0.759
Similarity to MM46817
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145919
Similarity: 0.7326
Similarity to MM145919
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8456 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41700
Similarity: 0.7159
Similarity to MM41700
| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8344 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+1081 more
