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DocumentationIdentifier: MM225192
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225192 |
| SMILES |
CC(C)(N)C#CC(F)CO
|
| InChIKey |
WQVAHZQCQRNJTJ-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
MM145919
Similarity: 0.7818
Similarity to MM145919
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322774
Similarity: 0.696
Similarity to MM322774
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8208 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51471
Similarity: 0.6812
Similarity to MM51471
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.8103 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
