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AURORAFEINCHEMIE-ZINC03240386

 MMsINC code: MMs00455758
Type: Neutral
Formula: C12H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(OC)=O)cc1
InChI:   InChI=1/C12H14ClNO4S/c1-18-12(15)11-3-2-8-14(11)19(16,17)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=58.0672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.766 g/mol  logS: -2.99328  SlogP: 1.6661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1659  Sterimol/B1: 2.46339  Sterimol/B2: 3.20147  Sterimol/B3: 4.77729
  Sterimol/B4: 8.28849  Sterimol/L: 12.7884 
 
 Surface and Volume Properties
  Accessible surface: 474.647  Positive charged surface: 278.218  Negative charged surface: 196.429  Volume: 251.875
  Hydrophobic surface: 403.598  Hydrophilic surface: 71.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.