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CHEMBRIDGE-ZINC01009530

 MMsINC code: MMs00651813
Type: Neutral
Formula: C10H5Cl2NO2S
SMILES:   Clc1cc(Cl)ccc1\C=C/1\SC(=O)NC\1=O
InChI:   InChI=1/C10H5Cl2NO2S/c11-6-2-1-5(7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-3+

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Potential Energy
Epot(MMFF94)=27.6051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.127 g/mol  logS: -4.55924  SlogP: 3.3173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511386  Sterimol/B1: 2.30092  Sterimol/B2: 2.52497  Sterimol/B3: 3.25021
  Sterimol/B4: 6.38329  Sterimol/L: 13.7451 
 
 Surface and Volume Properties
  Accessible surface: 421.349  Positive charged surface: 135.478  Negative charged surface: 285.872  Volume: 208.75
  Hydrophobic surface: 256.76  Hydrophilic surface: 164.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
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Ions/Tautomers related molecules: no related molecules available.