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ENAMINE-ZINC03221617

 MMsINC code: MMs01313757
Type: Ionized
Formula: C10H11ClNO5S-
SMILES:   Clc1ccc(S(=O)(=O)NC(C(O)C)C(=O)[O-])cc1
InChI:   InChI=1/C10H12ClNO5S/c1-6(13)9(10(14)15)12-18(16,17)8-4-2-7(11)3-5-8/h2-6,9,12-13H,1H3,(H,14,15)/p-1/t6-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=26.847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.719 g/mol  logS: -2.33811  SlogP: -0.8824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177059  Sterimol/B1: 2.86574  Sterimol/B2: 4.13824  Sterimol/B3: 4.87087
  Sterimol/B4: 5.14425  Sterimol/L: 13.59 
 
 Surface and Volume Properties
  Accessible surface: 453.046  Positive charged surface: 188.19  Negative charged surface: 264.856  Volume: 234.75
  Hydrophobic surface: 259.12  Hydrophilic surface: 193.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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MMs01313756
ENAMINE-ZINC03221617