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DocumentationIdentifier: MM131381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131381 |
| SMILES |
CNC(C#N)C(C)(C)F
|
| InChIKey |
WNUATNDMOFJVHL-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220757
Similarity: 0.7917
Similarity to MM220757
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232020
Similarity: 0.7917
Similarity to MM232020
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41522
Similarity: 0.7193
Similarity to MM41522
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
