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DocumentationIdentifier: MM02591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02591 |
| SMILES |
CC(F)COC(C#N)C#N
|
| InChIKey |
JNTMESNYTHIQBD-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM315652
Similarity: 0.77
Similarity to MM315652
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8701 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224740
Similarity: 0.7596
Similarity to MM224740
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8634 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15835
Similarity: 0.7176
Similarity to MM15835
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
