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DocumentationIdentifier: MM223737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223737 |
| SMILES |
C#CC(F)C(C)C(C)(C)C
|
| InChIKey |
PLNBHEHSYYNRRV-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
MM160062
Similarity: 0.8265
Similarity to MM160062
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234616
Similarity: 0.7288
Similarity to MM234616
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8431 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129806
Similarity: 0.6633
Similarity to MM129806
| Tanimoto metric | 0.6633 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.7975 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
