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 |
|---|---|---|---|---|---|
| 4fmu_ligand_2_14.mol2 | 4fmu | 1 | -5.81 | C([NH2+]C)C | 4 |
| 3gm0_ligand_frag_1.mol2 | 3gm0 | 1 | -5.80 | C([NH2+]C)C | 4 |
| 2wsx_ligand_2_1.mol2 | 2wsx | 1 | -5.79 | [N+](C)(C)(C)CC | 6 |
| 2y5g_ligand_2_9.mol2 | 2y5g | 1 | -5.78 | CC[N+](C)(C)C | 6 |
| 2y5h_ligand_2_9.mol2 | 2y5h | 1 | -5.77 | CC[N+](C)(C)C | 6 |
| 3k26_ligand_2_30.mol2 | 3k26 | 1 | -5.77 | C([N+](C)(C)C)C | 6 |
| 4fmu_ligand_2_18.mol2 | 4fmu | 1 | -5.77 | C([NH2+]C)C | 4 |
577 ,
58
