Responsive image

Common name

(2S)-2-acetamido-N-methyl-propanamide

IUPAC name

(2S)-2-acetamido-N-methyl-propanamide

SMILES

CC(=O)NC(C)C(=O)NC

Common name

(2S)-2-acetamido-N-methyl-propanamide

IUPAC name

(2S)-2-acetamido-N-methyl-propanamide

SMILES

CC(=O)NC(C)C(=O)NC

INCHI

InChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/t4-/m0/s1

FORMULA

C6H12N2O2

Responsive image

Common name

(2S)-2-acetamido-N-methyl-propanamide

IUPAC name

(2S)-2-acetamido-N-methyl-propanamide





Molecular weight

144.172

clogP

-0.433

clogS

-1.068

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

58.2

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00100 Remikiren Responsive image Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; For the treatment of hypertension and heart failure.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1a7c_ligand_4_819.mol2 1a7c 1 -6.77 CC(=O)N[C@@H](C)C(=O)NC 10
4j7i_ligand_5_5519.mol2 4j7i 1 -6.43 C[C@H](NC(=O)C)C(=O)NC 10
1mnc_ligand_4_117.mol2 1mnc 1 -6.34 C[C@@H](C(=O)NC)NC(=O)C 10
1jao_ligand_4_32.mol2 1jao 1 -6.31 CNC(=O)[C@@H](NC(=O)C)C 10
1rm8_ligand_4_486.mol2 1rm8 1 -6.31 C(=O)(N[C@@H](C)C(=O)NC)C 10
1w6h_ligand_4_2751.mol2 1w6h 1 -6.31 N(C(=O)[C@H](C)NC(=O)C)C 10
1gmy_ligand_5_71.mol2 1gmy 1 -6.28 CC(=O)N[C@@H](C)C(=O)NC 10
293 , 30