NCID-ZINC05566854

MMsINC code: MMs02475711

• Type: Neutral
• Formula: C₁₀H₂₃N₃
• SMILES: N1CCCCCCNCCNCC1
• InChI: InChI=1/C10H23N3/c1-2-4-6-12-8-10-13-9-7-11-5-3-1/h11-13H,1-10H2

Potential Energy
Epot(MMFF94)=71.9533 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 185.315 g/mol
• logS: 0.15272
• SlogP: 0.3292
• Reactive groups: 0

Topological Properties

• Globularity: 0.168829
• Sterimol/B1: 2.07938
• Sterimol/B2: 2.87532
• Sterimol/B3: 2.89119
• Sterimol/B4: 7.57343
• Sterimol/L: 10.6744

Surface and Volume Properties

• Accessible surface: 393.315
• Positive charged surface: 342.742
• Negative charged surface: 50.5733
• Volume: 210.125
• Hydrophobic surface: 332.905
• Hydrophilic surface: 60.41

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• 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