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CHEMDIV-ZINC00196797

 MMsINC code: MMs00837975
Type: Ionized
Formula: C10H11ClNO4S-
SMILES:   Clc1ccc(S(=O)(=O)NC(CC)C(=O)[O-])cc1
InChI:   InChI=1/C10H12ClNO4S/c1-2-9(10(13)14)12-17(15,16)8-5-3-7(11)4-6-8/h3-6,9,12H,2H2,1H3,(H,13,14)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=17.8072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.72 g/mol  logS: -2.74242  SlogP: 0.1468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19876  Sterimol/B1: 3.30201  Sterimol/B2: 3.79771  Sterimol/B3: 4.88612
  Sterimol/B4: 4.90093  Sterimol/L: 13.629 
 
 Surface and Volume Properties
  Accessible surface: 442.296  Positive charged surface: 182.852  Negative charged surface: 259.443  Volume: 225.625
  Hydrophobic surface: 285.734  Hydrophilic surface: 156.562
 
 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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MMs00837974
CHEMDIV-ZINC00196797