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ASINEX-ZINC06681472

 MMsINC code: MMs00444938
Type: Ionized
Formula: C10H13N2O5S2-
SMILES:   s1cc(S(=O)(=O)NC(C(C)C)C(=O)[O-])cc1C(=O)N
InChI:   InChI=1/C10H14N2O5S2/c1-5(2)8(10(14)15)12-19(16,17)6-3-7(9(11)13)18-4-6/h3-5,8,12H,1-2H3,(H2,11,13)(H,14,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=10.4078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.355 g/mol  logS: -2.26869  SlogP: -1.1002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104327  Sterimol/B1: 2.5001  Sterimol/B2: 3.70646  Sterimol/B3: 3.91429
  Sterimol/B4: 6.59144  Sterimol/L: 14.1178 
 
 Surface and Volume Properties
  Accessible surface: 474.939  Positive charged surface: 226.239  Negative charged surface: 248.7  Volume: 246.625
  Hydrophobic surface: 201.96  Hydrophilic surface: 272.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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:


MMs00444937
ASINEX-ZINC06681472