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ENAMINE-ZINC03199640

 MMsINC code: MMs01303872
Type: Neutral
Formula: C9H10ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N(C)C)cc1C(O)=O
InChI:   InChI=1/C9H10ClNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=28.9252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.701 g/mol  logS: -2.00213  SlogP: 1.2885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105613  Sterimol/B1: 2.53975  Sterimol/B2: 2.68034  Sterimol/B3: 4.33776
  Sterimol/B4: 6.48559  Sterimol/L: 11.9345 
 
 Surface and Volume Properties
  Accessible surface: 424.59  Positive charged surface: 235.514  Negative charged surface: 189.076  Volume: 209.5
  Hydrophobic surface: 281.481  Hydrophilic surface: 143.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01303873
ENAMINE-ZINC03199640