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DocumentationIdentifier: MM82806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82806 |
| SMILES |
C#CC(F)(CCN)COC
|
| InChIKey |
NZLCVVXGYJDBPL-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139465
Similarity: 0.7655
Similarity to MM139465
| Tanimoto metric | 0.7655 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8672 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73322
Similarity: 0.6201
Similarity to MM73322
| Tanimoto metric | 0.6201 |
|---|---|
| Cosine metric | 0.7655 |
| Dice metric | 0.7655 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15887
Similarity: 0.5956
Similarity to MM15887
| Tanimoto metric | 0.5956 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.7466 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
