PUBCHEM-ZINC06070857

MMsINC code: MMs03523699

• Type: Neutral
• Formula: C₁₀H₁₅N
• SMILES: N(Cc1ccc(cc1)C)(C)C
• InChI: InChI=1/C10H15N/c1-9-4-6-10(7-5-9)8-11(2)3/h4-7H,8H2,1-3H3

Potential Energy
Epot(MMFF94)=36.0431 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 149.237 g/mol
• logS: -1.73025
• SlogP: 2.32302
• Reactive groups: 0

Topological Properties

• Globularity: 0.0770785
• Sterimol/B1: 2.82304
• Sterimol/B2: 3.34638
• Sterimol/B3: 3.39991
• Sterimol/B4: 3.96617
• Sterimol/L: 11.9195

Surface and Volume Properties

• Accessible surface: 375.06
• Positive charged surface: 283.102
• Negative charged surface: 91.9579
• Volume: 176.875
• Hydrophobic surface: 366.093
• Hydrophilic surface: 8.967

Pharmacophoric Properties

• Hydrogen bond donors: 0
• 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