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DocumentationIdentifier: MM400838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400838 |
| SMILES |
C=C(F)CNC(C)C(C)=O
|
| InChIKey |
BZNYZNZGUZUBAD-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
MM453933
Similarity: 0.7863
Similarity to MM453933
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8803 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35510
Similarity: 0.6748
Similarity to MM35510
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37114
Similarity: 0.6197
Similarity to MM37114
| Tanimoto metric | 0.6197 |
|---|---|
| Cosine metric | 0.7671 |
| Dice metric | 0.7652 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
