ALFAAESAR-ZINC03875877

MMsINC code: MMs00024396

• Type: Neutral
• Formula: C₆HCl₅S
• SMILES: Clc1c(S)c(Cl)c(Cl)c(Cl)c1Cl
• InChI: InChI=1/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Potential Energy
Epot(MMFF94)=39.94 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 282.405 g/mol
• logS: -6.07431
• SlogP: 5.2423
• Reactive groups: 0

Topological Properties

• Globularity: 0.0254903
• Sterimol/B1: 2.35323
• Sterimol/B2: 2.45601
• Sterimol/B3: 4.75154
• Sterimol/B4: 4.75161
• Sterimol/L: 10.4713

Surface and Volume Properties

• Accessible surface: 374.998
• Positive charged surface: 61.9928
• Negative charged surface: 313.005
• Volume: 183.375
• Hydrophobic surface: 334.071
• Hydrophilic surface: 40.927

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: 1
• Oprea's lead like rule: 1