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DocumentationIdentifier: MM94112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94112 |
| SMILES |
CNCC(CN)C(C)=CF
|
| InChIKey |
LGKFZYCRUZSRFU-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87766
Similarity: 0.823
Similarity to MM87766
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179804
Similarity: 0.7168
Similarity to MM179804
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8351 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354476
Similarity: 0.7099
Similarity to MM354476
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.8304 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+424 more
