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DocumentationIdentifier: MM302034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302034 |
| SMILES |
CCNCCC(=O)C(C)F
|
| InChIKey |
JPMCZRHFQVNBKB-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
MM162389
Similarity: 0.8762
Similarity to MM162389
| Tanimoto metric | 0.8762 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.934 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73975
Similarity: 0.7188
Similarity to MM73975
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8364 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364499
Similarity: 0.7103
Similarity to MM364499
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8306 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
