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DocumentationIdentifier: MM68576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68576 |
| SMILES |
CCC(NCCN)C(C)F
|
| InChIKey |
CGEFMRLAIZEEBW-UHFFFAOYSA-N
|
| MW [Da] |
148.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67742
Similarity: 0.7944
Similarity to MM67742
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392302
Similarity: 0.7686
Similarity to MM392302
| Tanimoto metric | 0.7686 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8692 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301067
Similarity: 0.7414
Similarity to MM301067
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8515 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
