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OTAVA-ZINC01981251

 MMsINC code: MMs02576541
Type: Neutral
Formula: C14H11Cl2NO3S
SMILES:   Clc1cc(NC(=O)C(OC(=O)c2sccc2)C)cc(Cl)c1
InChI:   InChI=1/C14H11Cl2NO3S/c1-8(20-14(19)12-3-2-4-21-12)13(18)17-11-6-9(15)5-10(16)7-11/h2-8H,1H3,(H,17,18)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=57.6827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.218 g/mol  logS: -5.3655  SlogP: 4.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293267  Sterimol/B1: 2.10256  Sterimol/B2: 2.50757  Sterimol/B3: 3.70603
  Sterimol/B4: 8.0709  Sterimol/L: 17.7024 
 
 Surface and Volume Properties
  Accessible surface: 567.485  Positive charged surface: 210.141  Negative charged surface: 357.345  Volume: 283.5
  Hydrophobic surface: 474.093  Hydrophilic surface: 93.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.