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DocumentationIdentifier: MM320491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320491 |
| SMILES |
CNC(=N)CCC(C)=CF
|
| InChIKey |
XRFNKAFFWRCRHT-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144818
Similarity: 0.7586
Similarity to MM144818
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167386
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Similarity to MM167386
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318634
Similarity: 0.6742
Similarity to MM318634
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8054 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
