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PUBCHEM-ZINC02771491

 MMsINC code: MMs02921564
Type: Neutral
Formula: C14H21Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NC(CCCC(C)C)C
InChI:   InChI=1/C14H21Cl2NO2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-9-12(15)7-8-13(14)16/h7-11,17H,4-6H2,1-3H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=6.90319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.299 g/mol  logS: -5.60851  SlogP: 4.4865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081696  Sterimol/B1: 3.11893  Sterimol/B2: 3.52285  Sterimol/B3: 5.03161
  Sterimol/B4: 5.56948  Sterimol/L: 16.2738 
 
 Surface and Volume Properties
  Accessible surface: 558.688  Positive charged surface: 281.32  Negative charged surface: 277.368  Volume: 304
  Hydrophobic surface: 436.215  Hydrophilic surface: 122.473
 
 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.