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CHEMDIV-ZINC00137551

 MMsINC code: MMs00834419
Type: Ionized
Formula: C18H15N2O3S-
SMILES:   S(=O)([O-])(=[NH])c1ccc(NC(=O)Cc2c3c(ccc2)cccc3)cc1
InChI:   InChI=1/C18H16N2O3S/c19-24(22,23)16-10-8-15(9-11-16)20-18(21)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,19,20,21,22,23)/p-1

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Potential Energy
Epot(MMFF94)=68.1144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.395 g/mol  logS: -5.54522  SlogP: 2.99257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837815  Sterimol/B1: 2.53127  Sterimol/B2: 3.94666  Sterimol/B3: 4.02209
  Sterimol/B4: 7.62502  Sterimol/L: 16.7423 
 
 Surface and Volume Properties
  Accessible surface: 570.504  Positive charged surface: 263.141  Negative charged surface: 297.849  Volume: 309.5
  Hydrophobic surface: 428.491  Hydrophilic surface: 142.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 3  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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Parent related molecule:


MMs00834418
CHEMDIV-ZINC00137551