ACROSORGANICS-ZINC01846581

MMsINC code: MMs00012049

• Type: Neutral
• Formula: C₁₀H₇S-
• SMILES: [S-]c1c2c(ccc1)cccc2
• InChI: InChI=1/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H/p-1

Potential Energy
Epot(MMFF94)=33.7315 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 159.232 g/mol
• logS: -4.41454
• SlogP: 2.7456
• Reactive groups: 0

Topological Properties

• Globularity: 1.30725e-08
• Sterimol/B1: 2.34764
• Sterimol/B2: 2.34836
• Sterimol/B3: 3.37837
• Sterimol/B4: 6.1354
• Sterimol/L: 9.84299

Surface and Volume Properties

• Accessible surface: 340.194
• Positive charged surface: 129.154
• Negative charged surface: 199.969
• Volume: 159.375
• Hydrophobic surface: 273.052
• Hydrophilic surface: 67.142

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 1
• 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