ACROSORGANICS-ZINC00154559

MMsINC code: MMs00004939

• Type: Neutral
• Formula: C₇H₁₀N₃+
• SMILES: [NH2+]=C(N)c1cc(N)ccc1
• InChI: InChI=1/C7H9N3/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1

Potential Energy
Epot(MMFF94)=16.2803 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 136.178 g/mol
• logS: -1.53425
• SlogP: -1.2668
• Reactive groups: 0

Topological Properties

• Globularity: 0.0713825
• Sterimol/B1: 2.33959
• Sterimol/B2: 2.516
• Sterimol/B3: 2.99501
• Sterimol/B4: 5.53288
• Sterimol/L: 10.1563

Surface and Volume Properties

• Accessible surface: 329.406
• Positive charged surface: 236.776
• Negative charged surface: 92.63
• Volume: 140.5
• Hydrophobic surface: 141.044
• Hydrophilic surface: 188.362

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 0
• Acid groups: 0
• Basic groups: 2
• 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