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ENAMINE-ZINC02633039

 MMsINC code: MMs01263598
Type: Neutral
Formula: C19H15NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1-c1ccccc1)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)25(23,24)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)

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Potential Energy
Epot(MMFF94)=74.9902 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: 0.275916  Sterimol/B1: 3.47291  Sterimol/B2: 3.88237  Sterimol/B3: 5.94646
  Sterimol/B4: 7.19133  Sterimol/L: 13.9313 
 
 Surface and Volume Properties
  Accessible surface: 558.141  Positive charged surface: 282.636  Negative charged surface: 272.774  Volume: 312.875
  Hydrophobic surface: 401.316  Hydrophilic surface: 156.825
 
 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


MMs01263599
ENAMINE-ZINC02633039