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DocumentationIdentifier: MM224727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224727 |
| SMILES |
CC(F)(F)CCC(O)C#N
|
| InChIKey |
DVUNQCZRANYNPN-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130357
Similarity: 0.7333
Similarity to MM130357
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316001
Similarity: 0.6639
Similarity to MM316001
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.798 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224657
Similarity: 0.6555
Similarity to MM224657
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7919 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
