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IBS-ZINC01500877

 MMsINC code: MMs01771104
Type: Neutral
Formula: C20H18N2O4S
SMILES:   S(=O)(=O)(NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H18N2O4S/c23-19(21-22-27(25,26)18-14-8-3-9-15-18)20(24,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,22,24H,(H,21,23)

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Potential Energy
Epot(MMFF94)=143.259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.44 g/mol  logS: -5.12325  SlogP: 2.2437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176948  Sterimol/B1: 2.36478  Sterimol/B2: 4.12559  Sterimol/B3: 4.90752
  Sterimol/B4: 9.05788  Sterimol/L: 15.3965 
 
 Surface and Volume Properties
  Accessible surface: 619.81  Positive charged surface: 303.146  Negative charged surface: 316.664  Volume: 343.625
  Hydrophobic surface: 493.119  Hydrophilic surface: 126.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.