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DocumentationIdentifier: MM339863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339863 |
| SMILES |
CCC(CF)CCN(C)C
|
| InChIKey |
YMSPGLZBESSPCP-UHFFFAOYSA-N
|
| MW [Da] |
147.24
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198512
Similarity: 0.825
Similarity to MM198512
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254530
Similarity: 0.7917
Similarity to MM254530
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8837 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144089
Similarity: 0.775
Similarity to MM144089
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
