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DocumentationIdentifier: MM388305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388305 |
| SMILES |
C#CC(C(C)C)C(F)CN
|
| InChIKey |
FKWHJDAXHPTRMM-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180982
Similarity: 0.686
Similarity to MM180982
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377057
Similarity: 0.6713
Similarity to MM377057
| Tanimoto metric | 0.6713 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8033 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159908
Similarity: 0.6694
Similarity to MM159908
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
