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OTAVA-ZINC01922424

 MMsINC code: MMs02567439
Type: Neutral
Formula: C14H11Cl2NO3S
SMILES:   Clc1ccc(Cl)cc1NC(=O)C(OC(=O)c1sccc1)C
InChI:   InChI=1/C14H11Cl2NO3S/c1-8(20-14(19)12-3-2-6-21-12)13(18)17-11-7-9(15)4-5-10(11)16/h2-8H,1H3,(H,17,18)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=67.1644 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: 0.0572345  Sterimol/B1: 2.2383  Sterimol/B2: 2.3694  Sterimol/B3: 5.29587
  Sterimol/B4: 7.28049  Sterimol/L: 16.4811 
 
 Surface and Volume Properties
  Accessible surface: 558.305  Positive charged surface: 209.132  Negative charged surface: 349.173  Volume: 282.375
  Hydrophobic surface: 472.424  Hydrophilic surface: 85.881
 
 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.