ACROSORGANICS-ZINC01683322

MMsINC code: MMs00010824

• Type: Neutral
• Formula: C₁₀H₂₄N₄
• SMILES: NCCCN1CCN(CC1)CCCN
• InChI: InChI=1/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2

Potential Energy
Epot(MMFF94)=33.3108 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 200.33 g/mol
• logS: 0.67858
• SlogP: -0.6984
• Reactive groups: 0

Topological Properties

• Globularity: 0.0469223
• Sterimol/B1: 2.3674
• Sterimol/B2: 2.65282
• Sterimol/B3: 3.26899
• Sterimol/B4: 5.44932
• Sterimol/L: 16.0661

Surface and Volume Properties

• Accessible surface: 464.231
• Positive charged surface: 425.484
• Negative charged surface: 38.7467
• Volume: 223
• Hydrophobic surface: 326.807
• Hydrophilic surface: 137.424

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• 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