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CHEMBRIDGE-ZINC01159415

 MMsINC code: MMs00675454
Type: Neutral
Formula: C22H18N2O3S
SMILES:   S=C(Nc1ccc(cc1)C(O)=O)NC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C22H18N2O3S/c25-20(24-22(28)23-18-13-11-17(12-14-18)21(26)27)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,26,27)(H2,23,24,25,28)

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Potential Energy
Epot(MMFF94)=163.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.463 g/mol  logS: -6.49169  SlogP: 4.0299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686012  Sterimol/B1: 2.45274  Sterimol/B2: 3.3433  Sterimol/B3: 4.47901
  Sterimol/B4: 8.95699  Sterimol/L: 17.5044 
 
 Surface and Volume Properties
  Accessible surface: 657.004  Positive charged surface: 348.344  Negative charged surface: 308.66  Volume: 362.25
  Hydrophobic surface: 463.531  Hydrophilic surface: 193.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00675455
CHEMBRIDGE-ZINC01159415