ALFAAESAR-ZINC01586449

MMsINC code: MMs00021394

• Type: Neutral
• Formula: C₇H₁₉N₃
• SMILES: N(CCCN)(CCCN)C
• InChI: InChI=1/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3

Potential Energy
Epot(MMFF94)=4.84629 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 145.25 g/mol
• logS: 0.72531
• SlogP: -0.3842
• Reactive groups: 0

Topological Properties

• Globularity: 0.0584141
• Sterimol/B1: 2.0039
• Sterimol/B2: 2.5737
• Sterimol/B3: 3.33634
• Sterimol/B4: 4.81936
• Sterimol/L: 14.0482

Surface and Volume Properties

• Accessible surface: 388.968
• Positive charged surface: 353.967
• Negative charged surface: 35.0014
• Volume: 170.375
• Hydrophobic surface: 253.797
• Hydrophilic surface: 135.171

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• 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