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DocumentationIdentifier: MM455529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455529 |
| SMILES |
NCC(=CF)CCC1CN1
|
| InChIKey |
MNEKLUCODRRDHW-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209134
Similarity: 0.7266
Similarity to MM209134
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8417 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455527
Similarity: 0.5941
Similarity to MM455527
| Tanimoto metric | 0.5941 |
|---|---|
| Cosine metric | 0.7456 |
| Dice metric | 0.7454 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434083
Similarity: 0.5742
Similarity to MM434083
| Tanimoto metric | 0.5742 |
|---|---|
| Cosine metric | 0.7367 |
| Dice metric | 0.7295 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
