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DocumentationIdentifier: MM225199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225199 |
| SMILES |
CC(C)(F)C#CC(N)CO
|
| InChIKey |
NPEMVFRVZRURDU-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130507
Similarity: 0.7547
Similarity to MM130507
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8602 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322774
Similarity: 0.6911
Similarity to MM322774
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8173 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43136
Similarity: 0.6765
Similarity to MM43136
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.807 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
