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ASINEX-ZINC00850356

 MMsINC code: MMs00192165
Type: Ionized
Formula: C19H16NO4S-
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)[O-])c1cc2c(cc1)cccc2
InChI:   InChI=1/C19H17NO4S/c21-19(22)18(12-14-6-2-1-3-7-14)20-25(23,24)17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18,20H,12H2,(H,21,22)/p-1/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=53.8331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.406 g/mol  logS: -5.1864  SlogP: 1.47927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111884  Sterimol/B1: 3.37622  Sterimol/B2: 3.41732  Sterimol/B3: 5.80255
  Sterimol/B4: 5.83236  Sterimol/L: 15.9148 
 
 Surface and Volume Properties
  Accessible surface: 562.398  Positive charged surface: 266.238  Negative charged surface: 288.141  Volume: 320.75
  Hydrophobic surface: 436.583  Hydrophilic surface: 125.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs00192164
ASINEX-ZINC00850356