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DocumentationIdentifier: MM232021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232021 |
| SMILES |
CCNC(C#N)C(C)(F)F
|
| InChIKey |
XTBJFSWEVDYUEB-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131382
Similarity: 0.8014
Similarity to MM131382
| Tanimoto metric | 0.8014 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8897 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392578
Similarity: 0.6688
Similarity to MM392578
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.805 |
| Dice metric | 0.8015 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220758
Similarity: 0.6686
Similarity to MM220758
| Tanimoto metric | 0.6686 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.8014 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
