ACROSORGANICS-ZINC01674078

MMsINC code: MMs00010601

• Type: Neutral
• Formula: C₆H₁₄S₂
• SMILES: S(SC(C)C)C(C)C
• InChI: InChI=1/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3

Potential Energy
Epot(MMFF94)=3.28913 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 150.31 g/mol
• logS: -2.99506
• SlogP: 3.1846
• Reactive groups: 1

Topological Properties

• Globularity: 0.094089
• Sterimol/B1: 2.21685
• Sterimol/B2: 3.02062
• Sterimol/B3: 3.0364
• Sterimol/B4: 4.77128
• Sterimol/L: 10.1957

Surface and Volume Properties

• Accessible surface: 356.422
• Positive charged surface: 220.028
• Negative charged surface: 136.394
• Volume: 158.5
• Hydrophobic surface: 220.028
• Hydrophilic surface: 136.394

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• 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