NCID-ZINC04918978

MMsINC code: MMs02416201

• Type: Neutral
• Formula: C₁₁H₂₄N+
• SMILES: [NH2+](C)C1CCCCCCCCC1
• InChI: InChI=1/C11H23N/c1-12-11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3/p+1

Potential Energy
Epot(MMFF94)=31.3405 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 170.32 g/mol
• logS: -2.86511
• SlogP: 2.0727
• Reactive groups: 0

Topological Properties

• Globularity: 0.287826
• Sterimol/B1: 2.34618
• Sterimol/B2: 3.93225
• Sterimol/B3: 4.62739
• Sterimol/B4: 5.91932
• Sterimol/L: 9.9621

Surface and Volume Properties

• Accessible surface: 392.378
• Positive charged surface: 344.332
• Negative charged surface: 48.046
• Volume: 211.375
• Hydrophobic surface: 343.783
• Hydrophilic surface: 48.595

Pharmacophoric Properties

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