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DocumentationIdentifier: MM224849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224849 |
| SMILES |
CC(C)(F)CNC(=N)CN
|
| InChIKey |
LYPXLCYPXDNIBM-UHFFFAOYSA-N
|
| MW [Da] |
147.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144639
Similarity: 0.7946
Similarity to MM144639
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130420
Similarity: 0.7768
Similarity to MM130420
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224851
Similarity: 0.6569
Similarity to MM224851
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.793 |
| Dice metric | 0.793 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
