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DocumentationIdentifier: MM62323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62323 |
| SMILES |
CNCC#CC(C)(N)CF
|
| InChIKey |
LRDMRIHTAFWHLI-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59143
Similarity: 0.7302
Similarity to MM59143
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.844 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312006
Similarity: 0.6746
Similarity to MM312006
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8068 |
| Dice metric | 0.8057 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58476
Similarity: 0.6512
Similarity to MM58476
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7887 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
