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CHEMDIV-ZINC00226548

 MMsINC code: MMs00844577
Type: Neutral
Formula: C12H12N2O4S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CNC(=O)c1occc1
InChI:   InChI=1/C12H12N2O4S/c13-19(16,17)10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-18-11/h1-7H,8H2,(H,14,15)(H2,13,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.80685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.304 g/mol  logS: -3.27709  SlogP: 1.1234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583209  Sterimol/B1: 3.50744  Sterimol/B2: 3.61754  Sterimol/B3: 3.6186
  Sterimol/B4: 4.90046  Sterimol/L: 16.7433 
 
 Surface and Volume Properties
  Accessible surface: 500.358  Positive charged surface: 253.078  Negative charged surface: 247.28  Volume: 240
  Hydrophobic surface: 302.506  Hydrophilic surface: 197.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00844578
CHEMDIV-ZINC00226548