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DocumentationIdentifier: MM245108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245108 |
| SMILES |
C#CC(=O)NC(C)C(F)F
|
| InChIKey |
ALJJQPQSBSRFFV-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM42935
Similarity: 0.7797
Similarity to MM42935
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329095
Similarity: 0.7323
Similarity to MM329095
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8477 |
| Dice metric | 0.8455 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264783
Similarity: 0.6667
Similarity to MM264783
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.8 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
