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DocumentationIdentifier: MM250540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250540 |
| SMILES |
CC(C)CCC(F)CC#N
|
| InChIKey |
DBHNVMCEYGSEGO-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291383
Similarity: 0.75
Similarity to MM291383
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8571 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261360
Similarity: 0.7471
Similarity to MM261360
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8553 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144126
Similarity: 0.7089
Similarity to MM144126
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8296 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+492 more
