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DocumentationIdentifier: MM308458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308458 |
| SMILES |
COCCC(O)(C#N)CF
|
| InChIKey |
ISCBYFNVKYLEEY-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139350
Similarity: 0.8077
Similarity to MM139350
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41873
Similarity: 0.6462
Similarity to MM41873
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.785 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41801
Similarity: 0.6385
Similarity to MM41801
| Tanimoto metric | 0.6385 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7793 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
