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DocumentationIdentifier: MM82633
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82633 |
| SMILES |
CC(C#N)C(=O)C(F)CO
|
| InChIKey |
CBMILZNHBKOWKO-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173068
Similarity: 0.7027
Similarity to MM173068
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47481
Similarity: 0.6757
Similarity to MM47481
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8065 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02173
Similarity: 0.6646
Similarity to MM02173
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.7985 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
