ACROSORGANICS-ZINC05177774

MMsINC code: MMs00018695

• Type: Neutral
• Formula: C₂H₄FNO
• SMILES: FCC(=O)N
• InChI: InChI=1/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)

Potential Energy
Epot(MMFF94)=10.9054 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 77.058 g/mol
• logS: -0.19279
• SlogP: -0.5588
• Reactive groups: 1

Topological Properties

• Globularity: 0.0914943
• Sterimol/B1: 2.25049
• Sterimol/B2: 2.37483
• Sterimol/B3: 2.37528
• Sterimol/B4: 3.68304
• Sterimol/L: 7.17064

Surface and Volume Properties

• Accessible surface: 205.53
• Positive charged surface: 125.577
• Negative charged surface: 79.953
• Volume: 64.625
• Hydrophobic surface: 40.1095
• Hydrophilic surface: 165.4205

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 1
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 0

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1