ASINEX-ZINC06667697

MMsINC code: MMs00441925

• Type: Ionized
• Formula: C₇H₁₄N₃+
• SMILES: [NH2+](CCn1ccnc1C)C
• InChI: InChI=1/C7H13N3/c1-7-9-4-6-10(7)5-3-8-2/h4,6,8H,3,5H2,1-2H3/p+1

Potential Energy
Epot(MMFF94)=14.4551 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.21 g/mol
• logS: 0.38205
• SlogP: -0.34888
• Reactive groups: 0

Topological Properties

• Globularity: 0.107023
• Sterimol/B1: 2.03228
• Sterimol/B2: 2.71257
• Sterimol/B3: 3.1591
• Sterimol/B4: 6.05818
• Sterimol/L: 11.3103

Surface and Volume Properties

• Accessible surface: 361.363
• Positive charged surface: 302.158
• Negative charged surface: 59.2051
• Volume: 158
• Hydrophobic surface: 259.945
• Hydrophilic surface: 101.418

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 0
• Basic groups: 1
• 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