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DocumentationIdentifier: MM305171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305171 |
| SMILES |
C#CCC(NC=O)C(F)F
|
| InChIKey |
NFBPQNGGCWLPMF-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51248
Similarity: 0.7627
Similarity to MM51248
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243104
Similarity: 0.5909
Similarity to MM243104
| Tanimoto metric | 0.5909 |
|---|---|
| Cosine metric | 0.7434 |
| Dice metric | 0.7429 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376411
Similarity: 0.5482
Similarity to MM376411
| Tanimoto metric | 0.5482 |
|---|---|
| Cosine metric | 0.7105 |
| Dice metric | 0.7082 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
