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DocumentationIdentifier: MM258127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258127 |
| SMILES |
CC(C)NCCC(=O)CF
|
| InChIKey |
XFBMDRNBAYWIET-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364499
Similarity: 0.8315
Similarity to MM364499
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9088 |
| Dice metric | 0.908 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365389
Similarity: 0.74
Similarity to MM365389
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8506 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49075
Similarity: 0.7327
Similarity to MM49075
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8457 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
