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CHEMBRIDGE-ZINC02830694

 MMsINC code: MMs00721916
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)CNC(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)C
InChI:   InChI=1/C19H20N2O4/c1-13-7-9-14(10-8-13)11-16(19(25)20-12-17(22)23)21-18(24)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.2563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.00271  SlogP: 1.53689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0988439  Sterimol/B1: 2.36567  Sterimol/B2: 3.3936  Sterimol/B3: 4.02769
  Sterimol/B4: 10.8129  Sterimol/L: 15.6355 
 
 Surface and Volume Properties
  Accessible surface: 620.327  Positive charged surface: 352.713  Negative charged surface: 267.614  Volume: 326.25
  Hydrophobic surface: 449.909  Hydrophilic surface: 170.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00721917
CHEMBRIDGE-ZINC02830694