ASINEX-ZINC01670236

MMsINC code: MMs00255650

• Type: Neutral
• Formula: C₆H₁₈N₄+2
• SMILES: [NH+](CCCNC(=[NH2+])N)(C)C
• InChI: InChI=1/C6H16N4/c1-10(2)5-3-4-9-6(7)8/h3-5H2,1-2H3,(H4,7,8,9)/p+2

Potential Energy
Epot(MMFF94)=-50.4612 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 146.238 g/mol
• logS: 0.03804
• SlogP: -3.8156
• Reactive groups: 0

Topological Properties

• Globularity: 0.0519745
• Sterimol/B1: 2.68893
• Sterimol/B2: 3.17737
• Sterimol/B3: 3.24856
• Sterimol/B4: 3.40816
• Sterimol/L: 13.0343

Surface and Volume Properties

• Accessible surface: 391.221
• Positive charged surface: 367.512
• Negative charged surface: 23.709
• Volume: 167.5
• Hydrophobic surface: 180.555
• Hydrophilic surface: 210.666

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 0
• Basic groups: 4
• 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