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DocumentationIdentifier: MM295049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295049 |
| SMILES |
CC(=CC(C)F)CNC=O
|
| InChIKey |
ORBSXFCQGBDTDP-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282296
Similarity: 0.7248
Similarity to MM282296
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295902
Similarity: 0.6423
Similarity to MM295902
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.7822 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360303
Similarity: 0.6356
Similarity to MM360303
| Tanimoto metric | 0.6356 |
|---|---|
| Cosine metric | 0.7838 |
| Dice metric | 0.7772 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
