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DocumentationIdentifier: MM302020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302020 |
| SMILES |
C=C(CCCNC)C(F)F
|
| InChIKey |
PLLCGADUABCQJR-UHFFFAOYSA-N
|
| MW [Da] |
149.18
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162380
Similarity: 0.8242
Similarity to MM162380
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364420
Similarity: 0.703
Similarity to MM364420
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8256 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254902
Similarity: 0.6552
Similarity to MM254902
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7917 |
| MW: | 149.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+572 more
