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DocumentationIdentifier: MM250968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250968 |
| SMILES |
C=CCC(=N)NCC(C)F
|
| InChIKey |
YBFKRQPZJZOUAE-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317500
Similarity: 0.8
Similarity to MM317500
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8889 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156419
Similarity: 0.7019
Similarity to MM156419
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8249 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316552
Similarity: 0.6512
Similarity to MM316552
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7889 |
| Dice metric | 0.7887 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
