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DocumentationIdentifier: MM92820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92820 |
| SMILES |
CNCCC(CF)OC=O
|
| InChIKey |
BFAYREAMIREHLG-UHFFFAOYSA-N
|
| MW [Da] |
149.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92520
Similarity: 0.6818
Similarity to MM92520
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292680
Similarity: 0.6267
Similarity to MM292680
| Tanimoto metric | 0.6267 |
|---|---|
| Cosine metric | 0.7742 |
| Dice metric | 0.7705 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250582
Similarity: 0.6148
Similarity to MM250582
| Tanimoto metric | 0.6148 |
|---|---|
| Cosine metric | 0.7667 |
| Dice metric | 0.7614 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
