ACROSORGANICS-ZINC04262425

MMsINC code: MMs00017507

• Type: Neutral
• Formula: C₁₀H₂₈N₆
• SMILES: N(CCNCCNCCN)CCNCCN
• InChI: InChI=1/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2

Potential Energy
Epot(MMFF94)=26.3816 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 232.376 g/mol
• logS: 1.95898
• SlogP: -2.7378
• Reactive groups: 0

Topological Properties

• Globularity: 0.0125992
• Sterimol/B1: 2.30029
• Sterimol/B2: 2.49541
• Sterimol/B3: 2.78058
• Sterimol/B4: 3.2523
• Sterimol/L: 22.5675

Surface and Volume Properties

• Accessible surface: 584.338
• Positive charged surface: 536.739
• Negative charged surface: 47.5995
• Volume: 265.5
• Hydrophobic surface: 374.288
• Hydrophilic surface: 210.05

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 6
• 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: 1
• Oprea's lead like rule: 0