ASINEX-ZINC01705671

MMsINC code: MMs00255834

• Type: Neutral
• Formula: C₄H₁₂N₂S₄
• SMILES: S(SSSCCN)CCN
• InChI: InChI=1/C4H12N2S4/c5-1-3-7-9-10-8-4-2-6/h1-6H2

Potential Energy
Epot(MMFF94)=-13.52 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 216.418 g/mol
• logS: -3.27654
• SlogP: 1.5816
• Reactive groups: 1

Topological Properties

• Globularity: 0.0444747
• Sterimol/B1: 2.47181
• Sterimol/B2: 2.76149
• Sterimol/B3: 3.46491
• Sterimol/B4: 3.93126
• Sterimol/L: 14.3536

Surface and Volume Properties

• Accessible surface: 419.302
• Positive charged surface: 258.255
• Negative charged surface: 101.129
• Volume: 186.75
• Hydrophobic surface: 212.94
• Hydrophilic surface: 206.362

Pharmacophoric Properties

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