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ENAMINE-ZINC03227971

 MMsINC code: MMs01317364
Type: Neutral
Formula: C14H11Cl2NO3S
SMILES:   Clc1cc(NC(=O)COC(=O)c2sc(cc2)C)ccc1Cl
InChI:   InChI=1/C14H11Cl2NO3S/c1-8-2-5-12(21-8)14(19)20-7-13(18)17-9-3-4-10(15)11(16)6-9/h2-6H,7H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=67.2876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.218 g/mol  logS: -5.35168  SlogP: 4.15882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150575  Sterimol/B1: 2.42374  Sterimol/B2: 3.02516  Sterimol/B3: 3.13526
  Sterimol/B4: 6.46318  Sterimol/L: 18.1381 
 
 Surface and Volume Properties
  Accessible surface: 561.836  Positive charged surface: 240.307  Negative charged surface: 321.529  Volume: 281.375
  Hydrophobic surface: 475.166  Hydrophilic surface: 86.67
 
 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.