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OTAVA-ZINC05375951

 MMsINC code: MMs02595524
Type: Neutral
Formula: C16H11Cl2NO3S
SMILES:   Clc1cccc(Cl)c1-c1oc(cc1)\C=C\1/SC(=O)N(CC)C/1=O
InChI:   InChI=1/C16H11Cl2NO3S/c1-2-19-15(20)13(23-16(19)21)8-9-6-7-12(22-9)14-10(17)4-3-5-11(14)18/h3-8H,2H2,1H3/b13-8+

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Potential Energy
Epot(MMFF94)=52.1564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.24 g/mol  logS: -6.92721  SlogP: 5.3096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811257  Sterimol/B1: 2.57428  Sterimol/B2: 3.31154  Sterimol/B3: 4.6799
  Sterimol/B4: 7.9629  Sterimol/L: 14.0499 
 
 Surface and Volume Properties
  Accessible surface: 549.298  Positive charged surface: 247.654  Negative charged surface: 301.644  Volume: 301
  Hydrophobic surface: 424.947  Hydrophilic surface: 124.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.