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DocumentationIdentifier: MM171918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171918 |
| SMILES |
CCC(F)C(C)CC#N
|
| InChIKey |
HZAHBKPIBICEJW-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108100
Similarity: 0.7632
Similarity to MM108100
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172059
Similarity: 0.6526
Similarity to MM172059
| Tanimoto metric | 0.6526 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7898 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138205
Similarity: 0.6517
Similarity to MM138205
| Tanimoto metric | 0.6517 |
|---|---|
| Cosine metric | 0.7896 |
| Dice metric | 0.7891 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
