NCID-ZINC01606856

MMsINC code: MMs02258727

• Type: Ionized
• Formula: C₆H₁₅N₂+
• SMILES: [NH2+](C)C1CCC1NC
• InChI: InChI=1/C6H14N2/c1-7-5-3-4-6(5)8-2/h5-8H,3-4H2,1-2H3/p+1/t5-,6+

Potential Energy
Epot(MMFF94)=23.5717 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 115.2 g/mol
• logS: 0.34759
• SlogP: -1.07
• Reactive groups: 0

Topological Properties

• Globularity: 0.200561
• Sterimol/B1: 2.48574
• Sterimol/B2: 2.77013
• Sterimol/B3: 3.29641
• Sterimol/B4: 5.28858
• Sterimol/L: 9.345

Surface and Volume Properties

• Accessible surface: 318.864
• Positive charged surface: 193.776
• Negative charged surface: 0.666006
• Volume: 139.25
• Hydrophobic surface: 255.801
• Hydrophilic surface: 63.063

Pharmacophoric Properties

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

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1