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ENAMINE-ZINC03199640

 MMsINC code: MMs01303873
Type: Ionized
Formula: C9H9ClNO4S-
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)/p-1

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Potential Energy
Epot(MMFF94)=16.6097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.693 g/mol  logS: -2.26258  SlogP: -0.0462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176064  Sterimol/B1: 2.78773  Sterimol/B2: 2.86135  Sterimol/B3: 4.64849
  Sterimol/B4: 6.01703  Sterimol/L: 11.2205 
 
 Surface and Volume Properties
  Accessible surface: 413.541  Positive charged surface: 189.938  Negative charged surface: 223.604  Volume: 210.25
  Hydrophobic surface: 264.78  Hydrophilic surface: 148.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01303872
ENAMINE-ZINC03199640