ACROSORGANICS-ZINC01662337

MMsINC code: MMs00010355

• Type: Neutral
• Formula: C₆H₁₈N₄
• SMILES: N(CCN)(CCN)CCN
• InChI: InChI=1/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2

Potential Energy
Epot(MMFF94)=31.5543 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 146.238 g/mol
• logS: 1.43749
• SlogP: -1.8355
• Reactive groups: 0

Topological Properties

• Globularity: 0.151668
• Sterimol/B1: 2.5616
• Sterimol/B2: 3.33097
• Sterimol/B3: 3.34247
• Sterimol/B4: 7.17035
• Sterimol/L: 10.2409

Surface and Volume Properties

• Accessible surface: 380.685
• Positive charged surface: 336.884
• Negative charged surface: 43.8011
• Volume: 165.375
• Hydrophobic surface: 178.155
• Hydrophilic surface: 202.53

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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