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DocumentationIdentifier: MM79737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79737 |
| SMILES |
CC(C=O)OC(C#N)CF
|
| InChIKey |
IBAFATNDLCSFJP-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54296
Similarity: 0.82
Similarity to MM54296
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42801
Similarity: 0.68
Similarity to MM42801
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79738
Similarity: 0.6759
Similarity to MM79738
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8066 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
