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DocumentationIdentifier: MM318361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318361 |
| SMILES |
C#CC(F)CNC(=N)CC
|
| InChIKey |
MPGSRSPASOAMBV-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM318595
Similarity: 0.6923
Similarity to MM318595
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8182 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318363
Similarity: 0.6917
Similarity to MM318363
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8178 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318540
Similarity: 0.6618
Similarity to MM318540
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7965 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
