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ENAMINE-ZINC03291522

 MMsINC code: MMs01353567
Type: Neutral
Formula: C19H15NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)-c1ccccc1)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C19H15NO4S/c21-19(22)16-7-4-8-18(13-16)25(23,24)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H,(H,21,22)

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Potential Energy
Epot(MMFF94)=71.1148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.398 g/mol  logS: -5.4425  SlogP: 3.8526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129742  Sterimol/B1: 3.44952  Sterimol/B2: 4.01718  Sterimol/B3: 4.42714
  Sterimol/B4: 6.32125  Sterimol/L: 16.0845 
 
 Surface and Volume Properties
  Accessible surface: 580.241  Positive charged surface: 277.572  Negative charged surface: 292.411  Volume: 315.625
  Hydrophobic surface: 401.509  Hydrophilic surface: 178.732
 
 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


MMs01353568
ENAMINE-ZINC03291522