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ASINEX-ZINC00804767

 MMsINC code: MMs00172078
Type: Neutral
Formula: C10H8Cl2N2O2S
SMILES:   ClC1(Cl)CC1CSc1oc(nn1)-c1occc1
InChI:   InChI=1/C10H8Cl2N2O2S/c11-10(12)4-6(10)5-17-9-14-13-8(16-9)7-2-1-3-15-7/h1-3,6H,4-5H2/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=30.3134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.158 g/mol  logS: -6.55596  SlogP: 4.0354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258935  Sterimol/B1: 2.72331  Sterimol/B2: 3.09608  Sterimol/B3: 3.90029
  Sterimol/B4: 4.16237  Sterimol/L: 16.4519 
 
 Surface and Volume Properties
  Accessible surface: 487.079  Positive charged surface: 166.455  Negative charged surface: 320.623  Volume: 232.625
  Hydrophobic surface: 219.972  Hydrophilic surface: 267.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.