ACROSORGANICS-ZINC01760818

MMsINC code: MMs00011904

• Type: Tautomer
• Formula: C₉H₂₀N+
• SMILES: [NH2+](C(C)C)C1CCCCC1
• InChI: InChI=1/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3/p+1

Potential Energy
Epot(MMFF94)=8.06403 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 142.266 g/mol
• logS: -1.45865
• SlogP: 1.2909
• Reactive groups: 0

Topological Properties

• Globularity: 0.173864
• Sterimol/B1: 2.16259
• Sterimol/B2: 3.70961
• Sterimol/B3: 3.86958
• Sterimol/B4: 4.91286
• Sterimol/L: 11.419

Surface and Volume Properties

• Accessible surface: 368.964
• Positive charged surface: 303.654
• Negative charged surface: 65.3091
• Volume: 176
• Hydrophobic surface: 315.257
• Hydrophilic surface: 53.707

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