FRINTON-ZINC02562257

MMsINC code: MMs01728035

• Type: Tautomer
• Formula: C₈H₂₀N₂
• SMILES: N(C(CN(C)C)(C)C)(C)C
• InChI: InChI=1/C8H20N2/c1-8(2,10(5)6)7-9(3)4/h7H2,1-6H3

Potential Energy
Epot(MMFF94)=74.0591 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 144.262 g/mol
• logS: -0.04074
• SlogP: 0.8882
• Reactive groups: 0

Topological Properties

• Globularity: 0.309326
• Sterimol/B1: 2.36233
• Sterimol/B2: 2.81586
• Sterimol/B3: 4.49612
• Sterimol/B4: 5.31672
• Sterimol/L: 9.88061

Surface and Volume Properties

• Accessible surface: 350.181
• Positive charged surface: 316.972
• Negative charged surface: 33.2093
• Volume: 175.75
• Hydrophobic surface: 316.972
• Hydrophilic surface: 33.209

Pharmacophoric Properties

• Hydrogen bond donors: 0
• 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