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DocumentationIdentifier: MM160040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160040 |
| SMILES |
CC(C(F)C#N)N(C)C
|
| InChIKey |
IHQRRYISNCCMKE-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27836
Similarity: 0.7482
Similarity to MM27836
| Tanimoto metric | 0.7482 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234599
Similarity: 0.7324
Similarity to MM234599
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59878
Similarity: 0.6797
Similarity to MM59878
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8093 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
