Common name
N,N-dimethylethanamine
IUPAC name
N,N-dimethylethanamine
SMILES
C(C)N(C)C
Common name
N,N-dimethylethanamine
IUPAC name
N,N-dimethylethanamine
SMILES
C(C)N(C)C
INCHI
InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3
FORMULA
C4H11N
Common name
N,N-dimethylethanamine
IUPAC name
N,N-dimethylethanamine
Molecular weight
73.137
clogP
-0.179
clogS
-0.646
Frequency
0.0299
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01810 | Osimertinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
| FDBD02030 | bensultap |
|
Insecticide | Insecticide |
| FDBD02031 | cartap |
|
Insecticide | Insecticide |
| FDBD02034 | thiosultap |
|
Insecticide | Insecticide |
| FDBD03038 | propamocarb |
|
Fungicide | Fungicide |
| FDBD03229 | prothiocarb |
|
Fungicide | Fungicide |
| FDBD03266 | spiroxamine |
|
Fungicide | Fungicide |
87 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_2_5.mol2 | 4bgk | 1 | -6.10 | [N+](C)(C)(C)CC | 6 |
| 4bhf_ligand_1_0.mol2 | 4bhf | 1 | -6.10 | [N+](C)(C)(C)CC | 6 |
| 1uv6_ligand_2_0.mol2 | 1uv6 | 1 | -6.07 | CC[N+](C)(C)C | 6 |
| 4c5w_ligand_2_1.mol2 | 4c5w | 1 | -6.03 | CC[N+](C)(C)C | 6 |
| 4bgm_ligand_3_6.mol2 | 4bgm | 1 | -6.00 | [N+](C)(C)(CC)C | 6 |
| 3feg_ligand_3_74.mol2 | 3feg | 1 | -5.96 | CC[N+](C)(C)C | 6 |
| 2ha0_ligand_2_0.mol2 | 2ha0 | 1 | -5.89 | C([N+](C)(C)C)C | 6 |
577 ,
58
