NCID-ZINC01759056

MMsINC code: MMs02366310

• Type: Neutral
• Formula: C₄H₁₁NO
• SMILES: OC(CN)(C)C
• InChI: InChI=1/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3

Potential Energy
Epot(MMFF94)=18.3008 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 89.138 g/mol
• logS: 0.26622
• SlogP: -0.284
• Reactive groups: 0

Topological Properties

• Globularity: 0.372918
• Sterimol/B1: 2.42601
• Sterimol/B2: 2.99228
• Sterimol/B3: 3.51294
• Sterimol/B4: 4.28868
• Sterimol/L: 8.2114

Surface and Volume Properties

• Accessible surface: 267.314
• Positive charged surface: 205.586
• Negative charged surface: 61.7282
• Volume: 101.375
• Hydrophobic surface: 132.892
• Hydrophilic surface: 134.422

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• 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