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DocumentationIdentifier: MM244339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244339 |
| SMILES |
C#CC(C)(C(C)C)C(C)F
|
| InChIKey |
XBHGEZPTUGKADV-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.64
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: 0.7281
Similarity to MM180982
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243765
Similarity: 0.6241
Similarity to MM243765
| Tanimoto metric | 0.6241 |
|---|---|
| Cosine metric | 0.7686 |
| Dice metric | 0.7686 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132873
Similarity: 0.6053
Similarity to MM132873
| Tanimoto metric | 0.6053 |
|---|---|
| Cosine metric | 0.778 |
| Dice metric | 0.7541 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
