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DocumentationIdentifier: MM227911
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227911 |
| SMILES |
C#CC(C)(C)NCC(F)F
|
| InChIKey |
OOMRSJWBENGTAC-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144211
Similarity: 0.7857
Similarity to MM144211
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103126
Similarity: 0.631
Similarity to MM103126
| Tanimoto metric | 0.631 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7737 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309035
Similarity: 0.5983
Similarity to MM309035
| Tanimoto metric | 0.5983 |
|---|---|
| Cosine metric | 0.7526 |
| Dice metric | 0.7487 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
