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ENAMINE-ZINC03887426

 MMsINC code: MMs01528605
Type: Ionized
Formula: C11H12Cl2NO4S-
SMILES:   Clc1cccc(Cl)c1S(=O)(=O)NC(C(C)C)C(=O)[O-]
InChI:   InChI=1/C11H13Cl2NO4S/c1-6(2)9(11(15)16)14-19(17,18)10-7(12)4-3-5-8(10)13/h3-6,9,14H,1-2H3,(H,15,16)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=17.4384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.192 g/mol  logS: -3.67848  SlogP: 1.0462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169668  Sterimol/B1: 3.71969  Sterimol/B2: 4.53753  Sterimol/B3: 4.80779
  Sterimol/B4: 5.3969  Sterimol/L: 12.6869 
 
 Surface and Volume Properties
  Accessible surface: 465.189  Positive charged surface: 185.601  Negative charged surface: 279.588  Volume: 256.875
  Hydrophobic surface: 321.955  Hydrophilic surface: 143.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01528604
ENAMINE-ZINC03887426