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ENAMINE-ZINC02726527

 MMsINC code: MMs01286908
Type: Ionized
Formula: C13H7Cl2FNO4S-
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1C(=O)[O-]
InChI:   InChI=1/C13H8Cl2FNO4S/c14-7-1-4-12(11(16)5-7)17-22(20,21)8-2-3-10(15)9(6-8)13(18)19/h1-6,17H,(H,18,19)/p-1

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Potential Energy
Epot(MMFF94)=31.8566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.172 g/mol  logS: -5.04013  SlogP: 2.2968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.329637  Sterimol/B1: 3.71038  Sterimol/B2: 4.05784  Sterimol/B3: 4.73443
  Sterimol/B4: 6.43619  Sterimol/L: 11.7673 
 
 Surface and Volume Properties
  Accessible surface: 481.972  Positive charged surface: 145.828  Negative charged surface: 336.145  Volume: 270.875
  Hydrophobic surface: 327.606  Hydrophilic surface: 154.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs01286907
ENAMINE-ZINC02726527